 Entering Gaussian System, Link 0=g16
 Input=36c_RhEn3-lelob2_STD_B3LYPDBJ-augccpVDZr.in
 Output=36c_RhEn3-lelob2_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/36c_RhEn3-lelob2_STD/Gau-645.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/36c_RhEn3-lelob2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=       646.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36c_RhEn3-lelob2_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 19:22:28 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36c_RhEn3-lelob2_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.882333000000      0.078868000000     -0.751096000000
  C                                                -2.883637000000     -0.089617000000      0.748561000000
  N                                                -1.604578000000     -0.773888000000      1.152492000000
  Rh                                                0.000181000000      0.000116000000      0.000562000000
  N                                                 1.496894000000      0.977942000000     -1.143379000000
  C                                                 2.016113000000      2.164980000000     -0.376616000000
  C                                                 0.851421000000      2.839270000000      0.306893000000
  N                                                 0.108865000000      1.805044000000      1.109170000000
  N                                                -1.605762000000      0.769395000000     -1.151895000000
  N                                                 1.498354000000     -0.974746000000      1.144883000000
  C                                                 2.023540000000     -2.157905000000      0.376178000000
  C                                                 0.862316000000     -2.836237000000     -0.309308000000
  N                                                 0.114723000000     -1.803750000000     -1.109148000000
  H                                                 2.746689000000      1.805009000000      0.348651000000
  H                                                 2.534073000000      2.852953000000     -1.045694000000
  H                                                 0.159478000000      3.264331000000     -0.421261000000
  H                                                 1.187267000000      3.652750000000      0.950911000000
  H                                                 0.172399000000     -3.266690000000      0.417566000000
  H                                                 1.202417000000     -3.646338000000     -0.955343000000
  H                                                 2.752960000000     -1.793209000000     -0.347870000000
  H                                                 2.544317000000     -2.844721000000      1.044258000000
  H                                                 2.285191000000     -0.385753000000      1.415804000000
  H                                                 1.112276000000     -1.308266000000      2.028366000000
  H                                                -0.783947000000     -2.191995000000     -1.394149000000
  H                                                 0.611614000000     -1.648380000000     -1.986518000000
  H                                                -1.721936000000      1.772878000000     -1.012515000000
  H                                                -1.479542000000      0.662744000000     -2.158404000000
  H                                                -0.791007000000      2.190068000000      1.394742000000
  H                                                 0.607425000000      1.652565000000      1.986087000000
  H                                                 2.286557000000      0.391334000000     -1.411120000000
  H                                                 1.111518000000      1.307831000000     -2.028554000000
  H                                                -2.916638000000     -0.885119000000     -1.259574000000
  H                                                -3.746888000000      0.653215000000     -1.085607000000
  H                                                -3.746060000000     -0.668259000000      1.081160000000
  H                                                -2.923915000000      0.874214000000      1.256925000000
  H                                                -1.480078000000     -0.664291000000      2.158900000000
  H                                                -1.716296000000     -1.778222000000      1.015422000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               2.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078868   -0.751096
      2          6           0       -2.883637   -0.089617    0.748561
      3          7           0       -1.604578   -0.773888    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496894    0.977942   -1.143379
      6          6           0        2.016113    2.164980   -0.376616
      7          6           0        0.851421    2.839270    0.306893
      8          7           0        0.108865    1.805044    1.109170
      9          7           0       -1.605762    0.769395   -1.151895
     10          7           0        1.498354   -0.974746    1.144883
     11          6           0        2.023540   -2.157905    0.376178
     12          6           0        0.862316   -2.836237   -0.309308
     13          7           0        0.114723   -1.803750   -1.109148
     14          1           0        2.746689    1.805009    0.348651
     15          1           0        2.534073    2.852953   -1.045694
     16          1           0        0.159478    3.264331   -0.421261
     17          1           0        1.187267    3.652750    0.950911
     18          1           0        0.172399   -3.266690    0.417566
     19          1           0        1.202417   -3.646338   -0.955343
     20          1           0        2.752960   -1.793209   -0.347870
     21          1           0        2.544317   -2.844721    1.044258
     22          1           0        2.285191   -0.385753    1.415804
     23          1           0        1.112276   -1.308266    2.028366
     24          1           0       -0.783947   -2.191995   -1.394149
     25          1           0        0.611614   -1.648380   -1.986518
     26          1           0       -1.721936    1.772878   -1.012515
     27          1           0       -1.479542    0.662744   -2.158404
     28          1           0       -0.791007    2.190068    1.394742
     29          1           0        0.607425    1.652565    1.986087
     30          1           0        2.286557    0.391334   -1.411120
     31          1           0        1.111518    1.307831   -2.028554
     32          1           0       -2.916638   -0.885119   -1.259574
     33          1           0       -3.746888    0.653215   -1.085607
     34          1           0       -3.746060   -0.668259    1.081160
     35          1           0       -2.923915    0.874214    1.256925
     36          1           0       -1.480078   -0.664291    2.158900
     37          1           0       -1.716296   -1.778222    1.015422
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509092   0.000000
     3  N    2.446119   1.505782   0.000000
     4  Rh   2.979946   2.980597   2.121621   0.000000
     5  N    4.487744   4.889598   4.237813   2.122474   0.000000
     6  C    5.337309   5.509699   4.907598   2.982093   1.505514
     7  C    4.762361   4.766981   4.449930   2.979806   2.446317
     8  N    3.922695   3.560175   3.096555   2.120988   2.772129
     9  N    1.505690   2.445935   2.773432   2.121085   3.109669
    10  N    4.888278   4.488025   3.109435   2.122345   3.008178
    11  C    5.508311   5.338246   3.959976   2.981966   3.524194
    12  C    4.766069   4.763945   3.532097   2.980637   3.955544
    13  N    3.557358   3.921670   3.021858   2.120969   3.106345
    14  H    5.989566   5.953999   5.121562   3.304862   2.114753
    15  H    6.092601   6.421032   5.925743   3.956506   2.144982
    16  H    4.416852   4.677392   4.679295   3.295210   2.745489
    17  H    5.677244   5.533400   5.237381   3.956523   3.411234
    18  H    4.678666   4.420713   3.148305   3.297813   4.712509
    19  H    5.532094   5.678855   4.535764   3.956735   4.637460
    20  H    5.951789   5.989625   4.719983   3.303818   3.144808
    21  H    6.420218   6.094319   4.638253   3.956643   4.527207
    22  H    5.622689   5.220124   3.917944   2.715341   3.005078
    23  H    5.060282   4.369248   2.904137   2.657180   3.928695
    24  H    3.158094   3.663318   3.028175   2.713932   3.913262
    25  H    4.088682   4.703954   3.940765   2.653277   2.896924
    26  H    2.069911   2.814218   3.344704   2.671085   3.318119
    27  H    2.071050   3.314812   3.611312   2.699961   3.160506
    28  H    3.665437   3.161268   3.083118   2.713965   3.625714
    29  H    4.706071   4.093187   3.387553   2.653609   3.322624
    30  H    5.220219   5.623739   4.803205   2.715403   1.019491
    31  H    4.369565   5.062262   4.672236   2.657536   1.020233
    32  H    1.090412   2.160213   2.748079   3.298396   4.792052
    33  H    1.090517   2.158975   3.411041   3.955607   5.254145
    34  H    2.159024   1.090515   2.145272   3.955849   5.928500
    35  H    2.160197   1.090425   2.113716   3.300429   5.031478
    36  H    3.314616   2.071059   1.019985   2.700190   4.739656
    37  H    2.815850   2.070093   1.019782   2.671838   4.751995
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509423   0.000000
     8  N    2.444322   1.504879   0.000000
     9  N    3.958117   3.528483   3.020750   0.000000
    10  N    3.527168   3.958215   3.107923   4.237069   0.000000
    11  C    4.387948   5.133266   4.461863   4.906722   1.505521
    12  C    5.133025   5.708870   4.911340   4.449938   2.446296
    13  N    4.461245   4.909738   4.236079   3.095637   2.771703
    14  H    1.090565   2.159509   2.745269   4.718894   3.149502
    15  H    1.090530   2.158934   3.409279   4.635809   4.530190
    16  H    2.158161   1.090720   2.115254   3.142388   4.713297
    17  H    2.159346   1.090551   2.145231   4.531726   4.641995
    18  H    5.790772   6.144597   5.119066   4.681351   2.745934
    19  H    5.896477   6.616612   5.930905   5.236717   3.411148
    20  H    4.026292   5.050191   4.696981   5.119751   2.114765
    21  H    5.234022   5.976400   5.249377   5.925207   2.144987
    22  H    3.129123   3.699480   3.103226   4.802808   1.019521
    23  H    4.320220   4.498174   3.397713   4.671024   1.020213
    24  H    5.278157   5.557122   4.800004   3.082839   3.624538
    25  H    4.371054   5.045418   4.664995   3.385113   3.323517
    26  H    3.811971   3.082239   2.802573   1.019756   4.751218
    27  H    4.201319   4.030923   3.808533   1.019983   4.739298
    28  H    3.319377   2.074234   1.019590   3.027788   3.914033
    29  H    2.798095   2.070627   1.020194   3.940193   2.898990
    30  H    2.071028   3.317164   3.618395   3.919219   3.003430
    31  H    2.069274   2.804865   3.331343   2.905521   3.928168
    32  H    5.866409   5.524777   4.690586   2.113624   5.028081
    33  H    6.000024   5.278479   4.583731   2.145300   5.927724
    34  H    6.584451   5.834302   4.580225   3.410903   5.253748
    35  H    5.360822   4.360868   3.175851   2.747895   4.794546
    36  H    5.163039   4.597908   3.118379   3.610071   3.161593
    37  H    5.605131   5.330705   4.022412   3.346615   3.316068
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509459   0.000000
    13  N    2.444423   1.504882   0.000000
    14  H    4.028448   5.052221   4.698464   0.000000
    15  H    5.233647   5.975276   5.248063   1.757154   0.000000
    16  H    5.788893   6.141941   5.114747   3.068558   2.489548
    17  H    5.898592   6.618210   5.930226   2.491718   2.537714
    18  H    2.158203   1.090698   2.115272   5.688044   6.720764
    19  H    2.159311   1.090547   2.145196   5.813980   6.634927
    20  H    1.090551   2.159613   2.745897   3.665018   4.703370
    21  H    1.090530   2.159014   3.409356   4.705828   6.068896
    22  H    2.071185   3.317447   3.618982   2.480168   4.075553
    23  H    2.069303   2.803907   3.329356   3.896823   5.365361
    24  H    3.319217   2.074153   1.019592   5.610596   6.048320
    25  H    2.799193   2.070480   1.020205   4.683744   4.984275
    26  H    5.604294   5.330741   4.021806   4.671447   4.391045
    27  H    5.162533   4.598513   3.118687   5.044911   4.705767
    28  H    5.278638   5.558867   4.800041   3.709160   4.177475
    29  H    4.372284   5.048084   4.665763   2.698312   3.787427
    30  H    3.124457   3.695899   3.102651   2.303691   2.500874
    31  H    4.315767   4.493463   3.394237   2.927810   2.318853
    32  H    5.357334   4.357793   3.171066   6.472747   6.612804
    33  H    6.583088   5.832982   4.577037   6.749094   6.655142
    34  H    6.000361   5.279267   4.581750   6.986373   7.507497
    35  H    5.869137   5.527755   4.690748   5.817825   6.245566
    36  H    4.205273   4.036856   3.810760   5.219196   6.225258
    37  H    3.813026   3.086024   2.804832   5.762149   6.615256
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757861   0.000000
    18  H    6.584682   7.013777   0.000000
    19  H    7.009302   7.543919   1.757825   0.000000
    20  H    5.684210   5.813493   3.068605   2.491444   0.000000
    21  H    6.719801   6.638330   2.489336   2.538048   1.757051
    22  H    4.606146   4.210828   3.709470   4.174464   2.304406
    23  H    5.274196   5.077225   2.704343   3.791731   2.928056
    24  H    5.622104   6.598942   2.313413   2.500661   3.709911
    25  H    5.175827   6.087844   2.931119   2.324695   2.700279
    26  H    2.472596   3.981510   5.570537   6.158166   5.760506
    27  H    3.531615   5.071474   4.980460   5.216172   5.217644
    28  H    2.314159   2.499999   5.626654   6.600021   5.609179
    29  H    2.931513   2.325628   5.181561   6.089696   4.682311
    30  H    3.709231   4.174262   4.603791   4.205459   2.473916
    31  H    2.705118   3.792307   5.271782   5.069895   3.890434
    32  H    5.232895   6.505424   4.245801   4.968249   5.813792
    33  H    4.745416   6.122949   5.743344   6.557343   6.984073
    34  H    5.742452   6.559405   4.748318   6.124028   6.748696
    35  H    4.246914   4.971491   5.238203   6.508159   6.474367
    36  H    4.977896   5.216398   3.540537   5.078080   5.047471
    37  H    5.568656   6.158758   2.477930   3.986560   4.672584
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.500343   0.000000
    23  H    2.319462   1.613069   0.000000
    24  H    4.177226   4.536293   4.011265   0.000000
    25  H    3.788427   3.996359   4.060250   1.610593   0.000000
    26  H    6.614639   5.158826   5.174279   4.092149   4.254309
    27  H    6.225014   5.295991   5.303908   3.036029   3.121502
    28  H    6.049490   4.012268   4.032655   5.194270   5.304144
    29  H    4.986399   2.700900   3.003861   5.304956   5.165060
    30  H    4.070304   2.931785   4.012186   4.012714   2.701287
    31  H    5.360856   4.013644   4.827273   4.030389   2.998475
    32  H    6.242572   5.870778   5.217447   2.504876   3.682333
    33  H    7.506740   6.612298   6.095548   4.119398   5.010541
    34  H    6.656365   6.047130   4.991016   4.150065   5.418543
    35  H    6.616439   5.361674   4.652868   4.583590   5.420643
    36  H    4.710887   3.847990   2.674330   3.929712   4.746377
    37  H    4.392161   4.255722   3.041009   2.616585   3.801009
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613758   0.000000
    28  H    2.614491   3.928313   0.000000
    29  H    3.798949   4.744679   1.610655   0.000000
    30  H    4.258587   3.849104   4.536486   3.993896   0.000000
    31  H    3.045828   2.673311   4.014586   4.060824   1.613043
    32  H    2.924602   2.295435   4.584809   5.421547   5.359621
    33  H    2.315042   2.508354   4.153466   5.421628   6.047892
    34  H    3.799961   4.171744   4.123191   5.015770   6.612614
    35  H    2.720792   3.714217   2.509933   3.688885   5.873726
    36  H    4.007014   4.516651   3.034159   3.123356   5.295935
    37  H    4.089361   4.010927   4.092355   4.255839   5.159255
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.650419   0.000000
    33  H    4.992172   1.756716   0.000000
    34  H    6.096828   2.492791   2.537947   0.000000
    35  H    5.221792   3.070517   2.492706   1.756712   0.000000
    36  H    5.304753   3.714624   4.171460   2.509226   2.294607
    37  H    5.175524   2.722877   3.801251   2.314364   2.924395
                   36         37
    36  H    0.000000
    37  H    1.613748   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.02D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.882333    0.078865   -0.751096
      2          6           0       -2.883637   -0.089620    0.748561
      3          7           0       -1.604577   -0.773890    1.152492
      4         45           0        0.000181    0.000116    0.000562
      5          7           0        1.496893    0.977944   -1.143379
      6          6           0        2.016110    2.164982   -0.376616
      7          6           0        0.851418    2.839271    0.306893
      8          7           0        0.108863    1.805044    1.109170
      9          7           0       -1.605763    0.769393   -1.151895
     10          7           0        1.498355   -0.974744    1.144883
     11          6           0        2.023542   -2.157903    0.376178
     12          6           0        0.862319   -2.836236   -0.309308
     13          7           0        0.114725   -1.803750   -1.109148
     14          1           0        2.746687    1.805012    0.348651
     15          1           0        2.534070    2.852956   -1.045694
     16          1           0        0.159474    3.264331   -0.421261
     17          1           0        1.187263    3.652751    0.950911
     18          1           0        0.172403   -3.266690    0.417566
     19          1           0        1.202421   -3.646337   -0.955343
     20          1           0        2.752962   -1.793206   -0.347870
     21          1           0        2.544320   -2.844718    1.044258
     22          1           0        2.285191   -0.385750    1.415804
     23          1           0        1.112277   -1.308265    2.028366
     24          1           0       -0.783944   -2.191996   -1.394149
     25          1           0        0.611616   -1.648379   -1.986518
     26          1           0       -1.721938    1.772876   -1.012515
     27          1           0       -1.479543    0.662742   -2.158404
     28          1           0       -0.791010    2.190067    1.394742
     29          1           0        0.607423    1.652566    1.986087
     30          1           0        2.286556    0.391337   -1.411120
     31          1           0        1.111516    1.307832   -2.028554
     32          1           0       -2.916637   -0.885122   -1.259574
     33          1           0       -3.746889    0.653211   -1.085607
     34          1           0       -3.746059   -0.668263    1.081160
     35          1           0       -2.923916    0.874211    1.256925
     36          1           0       -1.480077   -0.664293    2.158900
     37          1           0       -1.716294   -1.778224    1.015422
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7085492           0.6964051           0.4626614
 Leave Link  202 at Thu Jul  8 19:22:29 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.3219182307 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0807127395 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.2412054912 Hartrees.
 Leave Link  301 at Thu Jul  8 19:22:32 2021, MaxMem= 10737418240 cpu:              40.8 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29880 LenP2D=  115104.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.19D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul  8 19:22:34 2021, MaxMem= 10737418240 cpu:              30.2 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 19:22:35 2021, MaxMem= 10737418240 cpu:               3.4 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36c_RhEn3-lelob2_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 19:22:37 2021, MaxMem= 10737418240 cpu:              24.2 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -681.123237207409    
 DIIS: error= 6.48D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -681.123237207409     IErMin= 1 ErrMin= 6.48D-02
 ErrMax= 6.48D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.67D-02 BMatP= 9.67D-02
 IDIUse=3 WtCom= 3.52D-01 WtEn= 6.48D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.230 Goal=   None    Shift=    0.000
 GapD=    0.230 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=3.34D-02 MaxDP=1.22D+01              OVMax= 1.18D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.36D-03    CP:  1.22D+00
 E= -681.126386369175     Delta-E=       -0.003149161765 Rises=F Damp=T
 DIIS: error= 4.87D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -681.126386369175     IErMin= 2 ErrMin= 4.87D-02
 ErrMax= 4.87D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.44D-02 BMatP= 9.67D-02
 IDIUse=3 WtCom= 5.13D-01 WtEn= 4.87D-01
 Coeff-Com: -0.293D+01 0.393D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.150D+01 0.250D+01
 Gap=     0.233 Goal=   None    Shift=    0.000
 RMSDP=2.77D-02 MaxDP=1.03D+01 DE=-3.15D-03 OVMax= 1.58D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  8.43D-03    CP:  1.96D+00  3.00D+00
 E= -681.134197141340     Delta-E=       -0.007810772165 Rises=F Damp=F
 DIIS: error= 2.27D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -681.134197141340     IErMin= 3 ErrMin= 2.27D-03
 ErrMax= 2.27D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.36D-03 BMatP= 5.44D-02
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.27D-02
 Coeff-Com: -0.167D+01 0.222D+01 0.446D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.163D+01 0.217D+01 0.459D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.17D-03 MaxDP=4.51D-01 DE=-7.81D-03 OVMax= 1.17D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  5.28D-04    CP:  1.94D+00  3.00D+00  9.05D-01
 E= -681.135869328593     Delta-E=       -0.001672187253 Rises=F Damp=F
 DIIS: error= 3.48D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -681.135869328593     IErMin= 4 ErrMin= 3.48D-04
 ErrMax= 3.48D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.02D-05 BMatP= 2.36D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.48D-03
 Coeff-Com: -0.550D+00 0.731D+00 0.239D+00 0.579D+00
 Coeff-En:   0.000D+00 0.000D+00 0.232D-01 0.977D+00
 Coeff:     -0.548D+00 0.729D+00 0.238D+00 0.581D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.03D-04 MaxDP=1.19D-01 DE=-1.67D-03 OVMax= 1.72D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.81D-05    CP:  1.94D+00  3.00D+00  9.31D-01  8.24D-01
 E= -681.135926964376     Delta-E=       -0.000057635783 Rises=F Damp=F
 DIIS: error= 3.14D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -681.135926964376     IErMin= 5 ErrMin= 3.14D-05
 ErrMax= 3.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-06 BMatP= 7.02D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D+00 0.138D+00 0.764D-01 0.255D+00 0.634D+00
 Coeff:     -0.104D+00 0.138D+00 0.764D-01 0.255D+00 0.634D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=4.32D-05 MaxDP=1.68D-02 DE=-5.76D-05 OVMax= 1.55D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.80D-06    CP:  1.95D+00  3.00D+00  9.35D-01  8.01D-01  9.06D-01
 E= -681.135928036986     Delta-E=       -0.000001072610 Rises=F Damp=F
 DIIS: error= 6.62D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -681.135928036986     IErMin= 6 ErrMin= 6.62D-06
 ErrMax= 6.62D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.49D-08 BMatP= 1.23D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.576D-02-0.777D-02 0.107D-01 0.585D-01 0.253D+00 0.680D+00
 Coeff:      0.576D-02-0.777D-02 0.107D-01 0.585D-01 0.253D+00 0.680D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=6.97D-06 MaxDP=2.63D-03 DE=-1.07D-06 OVMax= 2.69D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.62D-06    CP:  1.95D+00  3.00D+00  9.35D-01  7.99D-01  9.13D-01
                    CP:  1.00D+00
 E= -681.135928079308     Delta-E=       -0.000000042323 Rises=F Damp=F
 DIIS: error= 2.01D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -681.135928079308     IErMin= 7 ErrMin= 2.01D-06
 ErrMax= 2.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.17D-09 BMatP= 5.49D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.604D-02-0.806D-02 0.105D-02 0.137D-01 0.779D-01 0.308D+00
 Coeff-Com:  0.601D+00
 Coeff:      0.604D-02-0.806D-02 0.105D-02 0.137D-01 0.779D-01 0.308D+00
 Coeff:      0.601D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.53D-06 MaxDP=9.98D-04 DE=-4.23D-08 OVMax= 1.36D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.49D-07    CP:  1.95D+00  3.00D+00  9.35D-01  8.01D-01  9.15D-01
                    CP:  9.88D-01  8.51D-01
 E= -681.135928083355     Delta-E=       -0.000000004047 Rises=F Damp=F
 DIIS: error= 6.28D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -681.135928083355     IErMin= 8 ErrMin= 6.28D-07
 ErrMax= 6.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.27D-10 BMatP= 5.17D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.228D-02-0.304D-02-0.652D-03 0.434D-03 0.107D-01 0.806D-01
 Coeff-Com:  0.324D+00 0.586D+00
 Coeff:      0.228D-02-0.304D-02-0.652D-03 0.434D-03 0.107D-01 0.806D-01
 Coeff:      0.324D+00 0.586D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.44D-07 MaxDP=3.26D-05 DE=-4.05D-09 OVMax= 3.19D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.84D-08    CP:  1.95D+00  3.00D+00  9.35D-01  8.00D-01  9.14D-01
                    CP:  9.92D-01  8.57D-01  7.66D-01
 E= -681.135928084121     Delta-E=       -0.000000000765 Rises=F Damp=F
 DIIS: error= 8.61D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -681.135928084121     IErMin= 9 ErrMin= 8.61D-08
 ErrMax= 8.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-11 BMatP= 6.27D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.595D-03-0.793D-03-0.240D-03-0.329D-03 0.144D-02 0.192D-01
 Coeff-Com:  0.999D-01 0.208D+00 0.672D+00
 Coeff:      0.595D-03-0.793D-03-0.240D-03-0.329D-03 0.144D-02 0.192D-01
 Coeff:      0.999D-01 0.208D+00 0.672D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.74D-07 MaxDP=6.77D-05 DE=-7.65D-10 OVMax= 1.17D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.06D-08    CP:  1.95D+00  3.00D+00  9.35D-01  8.00D-01  9.15D-01
                    CP:  9.93D-01  8.62D-01  7.69D-01  9.13D-01
 E= -681.135928084044     Delta-E=        0.000000000076 Rises=F Damp=F
 DIIS: error= 6.25D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -681.135928084121     IErMin=10 ErrMin= 6.25D-08
 ErrMax= 6.25D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.81D-12 BMatP= 1.30D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.586D-04-0.775D-04-0.661D-04-0.341D-03-0.750D-03 0.742D-03
 Coeff-Com:  0.200D-01 0.549D-01 0.465D+00 0.461D+00
 Coeff:      0.586D-04-0.775D-04-0.661D-04-0.341D-03-0.750D-03 0.742D-03
 Coeff:      0.200D-01 0.549D-01 0.465D+00 0.461D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=5.44D-08 MaxDP=2.07D-05 DE= 7.64D-11 OVMax= 5.77D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.62D-09    CP:  1.95D+00  3.00D+00  9.35D-01  8.00D-01  9.15D-01
                    CP:  9.94D-01  8.63D-01  7.69D-01  9.11D-01  6.61D-01
 E= -681.135928084058     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 1.31D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin= 9 EnMin= -681.135928084121     IErMin=11 ErrMin= 1.31D-08
 ErrMax= 1.31D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-13 BMatP= 6.81D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.220D-04 0.294D-04-0.257D-05-0.938D-04-0.378D-03-0.119D-02
 Coeff-Com: -0.146D-02 0.655D-03 0.693D-01 0.105D+00 0.828D+00
 Coeff:     -0.220D-04 0.294D-04-0.257D-05-0.938D-04-0.378D-03-0.119D-02
 Coeff:     -0.146D-02 0.655D-03 0.693D-01 0.105D+00 0.828D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.78D-08 MaxDP=6.94D-06 DE=-1.41D-11 OVMax= 6.25D-08

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.00D-09    CP:  1.95D+00  3.00D+00  9.35D-01  8.00D-01  9.15D-01
                    CP:  9.94D-01  8.64D-01  7.69D-01  9.17D-01  6.86D-01
                    CP:  9.96D-01
 E= -681.135928083985     Delta-E=        0.000000000074 Rises=F Damp=F
 DIIS: error= 1.07D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin= 9 EnMin= -681.135928084121     IErMin=12 ErrMin= 1.07D-09
 ErrMax= 1.07D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-15 BMatP= 1.22D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.515D-05 0.687D-05 0.140D-05-0.805D-05-0.498D-04-0.189D-03
 Coeff-Com: -0.738D-03-0.112D-02-0.102D-02 0.433D-02 0.140D+00 0.859D+00
 Coeff:     -0.515D-05 0.687D-05 0.140D-05-0.805D-05-0.498D-04-0.189D-03
 Coeff:     -0.738D-03-0.112D-02-0.102D-02 0.433D-02 0.140D+00 0.859D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.52D-09 MaxDP=5.81D-07 DE= 7.37D-11 OVMax= 1.01D-08

 SCF Done:  E(RB3LYP) =  -681.135928084     A.U. after   12 cycles
            NFock= 12  Conv=0.15D-08     -V/T= 2.1210
 KE= 6.075987704834D+02 PE=-3.904732518002D+03 EE= 1.417756613943D+03
 Leave Link  502 at Thu Jul  8 19:32:57 2021, MaxMem= 10737418240 cpu:            9894.8 elap:             619.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.19101533D+03

 Leave Link  801 at Thu Jul  8 19:32:57 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 4.20D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 2.59D-01 1.02D-01.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 9.81D-02 7.46D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 1.98D-02 1.95D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 2.63D-03 9.31D-03.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 6.59D-04 8.59D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 1.40D-04 3.65D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 5.97D-06 4.06D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 1.76D-07 7.19D-05.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 3.57D-09 1.18D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 6.85D-11 1.97D-06.
      6 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 1.60D-12 3.87D-07.
      2 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 5.35D-14 4.60D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   129 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.158479D+03
      2 -0.926186D-03  0.156950D+03
      3 -0.172049D-02  0.629253D-01  0.124232D+03
 Isotropic polarizability for W=    0.085645      146.55 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.913913D+02 -0.537767D+00  0.175034D-01
      2   0.981009D+02  0.570014D+00  0.134749D-01
      3  -0.670968D+01 -0.322463D-01 -0.309783D-01
      4  -0.557178D+00  0.100999D+03 -0.514335D+01
      5  -0.651937D-01  0.165716D+01 -0.982495D+01
      6  -0.104146D+02 -0.753001D-01 -0.559730D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.813218D+00 -0.423395D-01  0.336038D-02
      2  -0.222438D-01  0.390524D+01 -0.221902D+01
      3  -0.164545D-01 -0.202796D+01 -0.458357D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.680051D+01 -0.887750D-01  0.237267D-01
      2   0.826971D-01  0.527126D+01 -0.311527D+01
      3  -0.194101D-01 -0.289834D+01 -0.120718D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.136096D+01  0.153861D-01  0.381311D-02
      2   0.153861D-01 -0.138058D+01  0.310042D+00
      3   0.381311D-02  0.310042D+00 -0.147193D+01
 OR G Eigenvalues:    -1.7397    -1.1129     1.3611  Iso=     0.4972
 Eigenvectors:
   (1)   0.002312  -0.653586   0.756848
   (2)  -0.005714   0.756829   0.653587
   (3)   0.999981   0.005836   0.001985
 w=    0.085645 a.u., Optical Rotation Beta=      0.4972 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =       83.26 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 1.17D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.47D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 4.41D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 4.92D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 9.81D-03 1.68D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 6.57D-04 4.35D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 7.51D-06 3.91D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 1.60D-07 6.76D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 9.30D-10 4.99D-06.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 5.06D-12 3.31D-07.
     11 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 1.94D-14 1.20D-08.
      2 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 2.55D-15 6.56D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.66D-15
 Solved reduced A of dimension   253 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 4.49D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 4.49D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.54D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158479D+03 -0.926186D-03 -0.172049D-02
      2  -0.926186D-03  0.156950D+03  0.629253D-01
      3  -0.172049D-02  0.629253D-01  0.124232D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.813218D+00 -0.423395D-01  0.336038D-02
      2  -0.222438D-01  0.390524D+01 -0.221902D+01
      3  -0.164545D-01 -0.202796D+01 -0.458357D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.913913D+02 -0.537767D+00  0.175034D-01
      2   0.981009D+02  0.570014D+00  0.134749D-01
      3  -0.670968D+01 -0.322463D-01 -0.309783D-01
      4  -0.557178D+00  0.100999D+03 -0.514335D+01
      5  -0.651937D-01  0.165716D+01 -0.982495D+01
      6  -0.104146D+02 -0.753001D-01 -0.559730D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.474219D+01 -0.418373D+01  0.355369D+01 -0.607690D+01  0.136925D+01
      2  -0.418373D+01  0.791745D+00 -0.531372D+00  0.136925D+01  0.294584D+01
      3   0.355369D+01 -0.531372D+00  0.860173D+00 -0.133378D+01  0.299548D+01
                 6             7             8             9            10 
      1  -0.133378D+01  0.241148D+01 -0.775999D+00  0.110745D+01  0.468658D+01
      2   0.299548D+01 -0.775999D+00  0.229096D+01  0.799209D+00  0.419048D+01
      3   0.616939D+00  0.110745D+01  0.799209D+00 -0.571831D+00 -0.354153D+01
                11            12            13            14            15 
      1   0.419048D+01 -0.354153D+01  0.609418D+01  0.143675D+01 -0.132583D+01
      2   0.847964D+00 -0.521984D+00  0.143675D+01 -0.292991D+01 -0.300078D+01
      3  -0.521984D+00  0.846292D+00 -0.132583D+01 -0.300078D+01 -0.613126D+00
                16            17            18            19            20 
      1  -0.239807D+01 -0.762238D+00  0.109946D+01 -0.904525D+01 -0.476063D+01
      2  -0.762238D+00 -0.229370D+01 -0.794640D+00 -0.476063D+01 -0.139894D+01
      3   0.109946D+01 -0.794640D+00  0.573673D+00  0.514481D+01  0.141932D+01
                21            22            23            24            25 
      1   0.514481D+01 -0.174536D+01 -0.590504D+00  0.236377D+00  0.333598D+01
      2   0.141932D+01 -0.590504D+00  0.187583D+01  0.133924D+01  0.124041D+01
      3  -0.213944D+01  0.236377D+00  0.133924D+01 -0.723067D+00 -0.200523D+01
                26            27            28            29            30 
      1   0.124041D+01 -0.200523D+01  0.177099D+01  0.118340D-01  0.371949D-02
      2   0.182869D+01 -0.958234D+00  0.118340D-01 -0.207239D+01 -0.162171D+01
      3  -0.958234D+00 -0.192730D+01  0.371949D-02 -0.162171D+01  0.240272D+00
                31            32            33            34            35 
      1   0.157907D-01 -0.204139D+01  0.193599D+01  0.863264D-02 -0.787001D-01
      2  -0.204139D+01 -0.718297D-02  0.172622D-02 -0.787001D-01  0.154494D-01
      3   0.193599D+01  0.172622D-02  0.383054D-02  0.145662D+00  0.394453D-02
                36            37            38            39            40 
      1   0.145662D+00  0.502188D+01  0.413327D+01 -0.187676D+01  0.617249D+01
      2   0.394453D-02  0.413327D+01  0.142357D+01 -0.316835D+01  0.342282D+01
      3   0.283302D-02 -0.187676D+01 -0.316835D+01  0.187411D+01 -0.384322D+01
                41            42            43            44            45 
      1   0.342282D+01 -0.384322D+01 -0.156394D+01 -0.207027D+01  0.243870D+01
      2   0.320417D+01 -0.260436D+01 -0.207027D+01 -0.140930D+01 -0.105993D+00
      3  -0.260436D+01  0.543988D+00  0.243870D+01 -0.105993D+00  0.859719D+00
                46            47            48            49            50 
      1  -0.302918D+01 -0.114361D+01 -0.300460D+00 -0.237004D+01 -0.254319D+01
      2  -0.114361D+01 -0.884077D+00  0.337587D+01 -0.254319D+01 -0.156673D+01
      3  -0.300460D+00  0.337587D+01 -0.192324D+01  0.341859D+01  0.275635D+01
                51            52            53            54            55 
      1   0.341859D+01  0.178797D+00  0.465164D+01 -0.293896D+01  0.648993D+00
      2   0.275635D+01  0.465164D+01  0.334825D+01 -0.863421D+00 -0.100411D+01
      3  -0.212824D+00 -0.293896D+01 -0.863421D+00  0.337524D+00  0.105243D+01
                56            57            58            59            60 
      1  -0.100411D+01  0.105243D+01 -0.220908D+00 -0.370954D+00 -0.294417D+01
      2  -0.223506D+01 -0.295837D+01 -0.370954D+00 -0.555213D+01 -0.343506D+01
      3  -0.295837D+01  0.914871D+00 -0.294417D+01 -0.343506D+01 -0.150248D+01
                61            62            63            64            65 
      1   0.160829D+01 -0.360448D+01  0.853537D+00  0.149690D+01  0.174716D+00
      2  -0.360448D+01 -0.505333D+01 -0.268547D+01  0.174716D+00  0.356407D+01
      3   0.853537D+00 -0.268547D+01 -0.196677D+00 -0.786568D+00  0.230386D+01
                66            67            68            69            70 
      1  -0.786568D+00 -0.478777D+00  0.860021D+00  0.167057D+01 -0.485611D+00
      2   0.230386D+01  0.860021D+00  0.112430D+02  0.488139D+01  0.103252D+01
      3  -0.557566D+00  0.167057D+01  0.488139D+01  0.161273D+01 -0.131981D+01
                71            72            73            74            75 
      1   0.103252D+01 -0.131981D+01 -0.906674D+01  0.473486D+01 -0.514520D+01
      2   0.322810D+01  0.189491D+01  0.473486D+01 -0.135398D+01  0.141193D+01
      3   0.189491D+01 -0.893174D+00 -0.514520D+01  0.141193D+01 -0.215280D+01
                76            77            78            79            80 
      1   0.171109D+01 -0.554839D+00  0.222850D+00 -0.334219D+01  0.124221D+01
      2  -0.554839D+00 -0.188377D+01 -0.134008D+01  0.124221D+01 -0.183067D+01
      3   0.222850D+00 -0.134008D+01  0.703471D+00 -0.201788D+01  0.941907D+00
                81            82            83            84            85 
      1  -0.201788D+01  0.506081D+01 -0.412585D+01  0.188991D+01 -0.617242D+01
      2   0.941907D+00 -0.412585D+01  0.141520D+01 -0.318205D+01  0.340502D+01
      3   0.192844D+01  0.188991D+01 -0.318205D+01  0.186788D+01 -0.385773D+01
                86            87            88            89            90 
      1   0.340502D+01 -0.385773D+01  0.156262D+01 -0.207501D+01  0.243039D+01
      2  -0.318871D+01  0.257602D+01 -0.207501D+01  0.138844D+01  0.114338D+00
      3   0.257602D+01 -0.538686D+00  0.243039D+01  0.114338D+00 -0.849473D+00
                91            92            93            94            95 
      1  -0.304770D+01  0.113850D+01  0.272861D+00  0.237361D+01 -0.254748D+01
      2   0.113850D+01 -0.897610D+00  0.339632D+01 -0.254748D+01  0.156030D+01
      3   0.272861D+00  0.339632D+01 -0.191249D+01  0.343679D+01 -0.272938D+01
                96            97            98            99           100 
      1   0.343679D+01 -0.212145D+00  0.466825D+01 -0.292806D+01  0.638054D+00
      2  -0.272938D+01  0.466825D+01 -0.330955D+01  0.845352D+00  0.102417D+01
      3   0.199427D+00 -0.292806D+01  0.845352D+00 -0.343267D+00 -0.102214D+01
               101           102           103           104           105 
      1   0.102417D+01 -0.102214D+01  0.227694D+00 -0.370893D+00 -0.296437D+01
      2  -0.223996D+01 -0.298317D+01 -0.370893D+00  0.550492D+01  0.339988D+01
      3  -0.298317D+01  0.894208D+00 -0.296437D+01  0.339988D+01  0.151528D+01
               106           107           108           109           110 
      1  -0.157325D+01 -0.363551D+01  0.827012D+00  0.149910D+01 -0.185790D+00
      2  -0.363551D+01  0.502160D+01  0.270422D+01 -0.185790D+00  0.359917D+01
      3   0.827012D+00  0.270422D+01  0.208561D+00  0.765894D+00  0.232561D+01
               111           112           113           114           115 
      1   0.765894D+00  0.478521D+00  0.897551D+00  0.169057D+01  0.475340D+00
      2   0.232561D+01  0.897551D+00 -0.112064D+02 -0.486251D+01  0.104736D+01
      3  -0.545963D+00  0.169057D+01 -0.486251D+01 -0.162188D+01 -0.130704D+01
               116           117           118           119           120 
      1   0.104736D+01 -0.130704D+01  0.512598D+01  0.223150D+00  0.154415D+01
      2  -0.323673D+01 -0.191402D+01  0.223150D+00  0.129056D+01 -0.266022D+00
      3  -0.191402D+01  0.891407D+00  0.154415D+01 -0.266022D+00  0.144745D+01
               121           122           123           124           125 
      1  -0.795678D+00  0.877546D+00 -0.566029D+00  0.271688D+01 -0.481778D+00
      2   0.877546D+00 -0.871901D+00  0.373231D+00 -0.481778D+00  0.863343D+00
      3  -0.566029D+00  0.373231D+00 -0.435868D+00  0.204243D+01  0.611279D-02
               126           127           128           129           130 
      1   0.204243D+01  0.456519D+01  0.299910D+01 -0.160140D+01  0.309959D+01
      2   0.611279D-02  0.299910D+01  0.269686D+01 -0.147159D+01  0.334170D+01
      3   0.211643D+01 -0.160140D+01 -0.147159D+01  0.144333D+01 -0.156420D+01
               131           132           133           134           135 
      1   0.334170D+01 -0.156420D+01 -0.285739D+01 -0.297129D+01  0.257798D+01
      2   0.562025D+01 -0.208773D+01 -0.297129D+01 -0.325773D+01  0.251183D+01
      3  -0.208773D+01  0.161419D+01  0.257798D+01  0.251183D+01 -0.275881D+01
               136           137           138           139           140 
      1  -0.250488D+01  0.110436D+01 -0.107572D+01  0.925312D+00 -0.112785D+01
      2   0.110436D+01 -0.223838D+01  0.899839D+00 -0.112785D+01  0.361127D+01
      3  -0.107572D+01  0.899839D+00 -0.117071D+01  0.561820D+00 -0.891435D+00
               141           142           143           144           145 
      1   0.561820D+00 -0.177680D+01  0.104626D+01 -0.105570D+01  0.150180D+01
      2  -0.891435D+00  0.104626D+01 -0.176851D+01  0.177027D+01  0.206521D+01
      3   0.996513D+00 -0.105570D+01  0.177027D+01 -0.220602D+01  0.576632D+00
               146           147           148           149           150 
      1   0.206521D+01  0.576632D+00  0.156436D+01  0.204345D+01  0.874632D+00
      2   0.243714D+01  0.966168D+00  0.204345D+01  0.950034D+01  0.294130D+01
      3   0.966168D+00  0.619902D+00  0.874632D+00  0.294130D+01  0.196472D+01
               151           152           153           154           155 
      1   0.520721D+00  0.160834D+01  0.815899D+00 -0.248879D+01 -0.110737D+01
      2   0.160834D+01  0.545539D+01  0.332478D+01 -0.110737D+01 -0.223965D+01
      3   0.815899D+00  0.332478D+01  0.252112D+01  0.106560D+01  0.901096D+00
               156           157           158           159           160 
      1   0.106560D+01 -0.931393D+00 -0.112583D+01  0.562818D+00  0.176372D+01
      2   0.901096D+00 -0.112583D+01 -0.364453D+01  0.899434D+00  0.104770D+01
      3  -0.116275D+01  0.562818D+00  0.899434D+00 -0.100396D+01 -0.104389D+01
               161           162           163           164           165 
      1   0.104770D+01 -0.104389D+01  0.152763D+01 -0.207907D+01 -0.589111D+00
      2   0.178323D+01 -0.177578D+01 -0.207907D+01  0.246270D+01  0.981458D+00
      3  -0.177578D+01  0.219768D+01 -0.589111D+00  0.981458D+00  0.634166D+00
               166           167           168           169           170 
      1  -0.157360D+01  0.206171D+01  0.886389D+00 -0.538388D+00  0.163237D+01
      2   0.206171D+01 -0.943984D+01 -0.293564D+01  0.163237D+01 -0.544932D+01
      3   0.886389D+00 -0.293564D+01 -0.196680D+01  0.835026D+00 -0.333009D+01
               171           172           173           174           175 
      1   0.835026D+00  0.512454D+01 -0.205391D+00 -0.153768D+01  0.814589D+00
      2  -0.333009D+01 -0.205391D+00  0.128810D+01 -0.273696D+00  0.878651D+00
      3  -0.253609D+01 -0.153768D+01 -0.273696D+00  0.144315D+01 -0.572616D+00
               176           177           178           179           180 
      1   0.878651D+00 -0.572616D+00 -0.270539D+01 -0.493878D+00  0.203715D+01
      2   0.891400D+00 -0.376606D+00 -0.493878D+00 -0.867344D+00  0.538279D-02
      3  -0.376606D+00  0.443732D+00  0.203715D+01  0.538279D-02 -0.210965D+01
               181           182           183           184           185 
      1   0.460208D+01 -0.300752D+01  0.161154D+01 -0.311060D+01  0.334564D+01
      2  -0.300752D+01  0.270176D+01 -0.147451D+01  0.334564D+01 -0.559419D+01
      3   0.161154D+01 -0.147451D+01  0.144711D+01 -0.156648D+01  0.207534D+01
               186           187           188           189           190 
      1  -0.156648D+01  0.287465D+01 -0.297196D+01  0.258305D+01  0.468217D+01
      2   0.207534D+01 -0.297196D+01  0.323424D+01 -0.250056D+01  0.954439D+00
      3  -0.160763D+01  0.258305D+01 -0.250056D+01  0.275338D+01  0.193757D+01
               191           192           193           194           195 
      1   0.954439D+00  0.193757D+01  0.272084D+01  0.191722D+00  0.192206D+01
      2   0.189941D+01  0.781843D+00  0.191722D+00  0.213208D+01 -0.103280D-01
      3   0.781843D+00  0.160068D+01  0.192206D+01 -0.103280D-01  0.146540D+01
               196           197           198           199           200 
      1   0.106430D+01  0.102223D+01  0.102028D+01 -0.163341D+01  0.131856D+01
      2   0.102223D+01  0.171350D+00  0.604832D+00  0.131856D+01 -0.101789D+01
      3   0.102028D+01  0.604832D+00  0.182865D+01 -0.916342D-01  0.103410D+01
               201           202           203           204           205 
      1  -0.916342D-01 -0.627245D-01 -0.140856D-01  0.313822D+00  0.131399D+01
      2   0.103410D+01 -0.140856D-01 -0.126382D+01  0.960847D+00 -0.295621D+00
      3  -0.172977D+01  0.313822D+00  0.960847D+00 -0.141045D+01  0.190991D+00
               206           207           208           209           210 
      1  -0.295621D+00  0.190991D+00 -0.373012D+01 -0.111658D+01 -0.168622D+01
      2   0.144146D+01 -0.141241D+01 -0.111658D+01 -0.381524D+01 -0.203255D+01
      3  -0.141241D+01  0.600486D+01 -0.168622D+01 -0.203255D+01 -0.197873D+01
               211           212           213           214           215 
      1  -0.171227D+01 -0.134217D+01 -0.984346D+00 -0.131827D+01 -0.856479D+00
      2  -0.134217D+01 -0.150967D+01 -0.303110D+00 -0.856479D+00  0.252930D-01
      3  -0.984346D+00 -0.303110D+00 -0.749346D+00 -0.101111D+01 -0.660622D+00
               216           217           218           219           220 
      1  -0.101111D+01  0.901498D+00 -0.686567D+00 -0.131023D+01 -0.477060D+00
      2  -0.660622D+00 -0.686567D+00  0.164251D+01  0.482809D+00 -0.877851D-01
      3  -0.187305D+01 -0.131023D+01  0.482809D+00  0.209459D+01 -0.239983D+00
               221           222           223           224           225 
      1  -0.877851D-01 -0.239983D+00 -0.117586D+01  0.224054D+00  0.117007D+01
      2   0.207289D+01  0.339284D+00  0.224054D+00 -0.160552D+01 -0.909942D+00
      3   0.339284D+00  0.661155D+00  0.117007D+01 -0.909942D+00 -0.583539D+01
               226           227           228           229           230 
      1   0.434662D+00  0.447732D+00  0.806988D+00  0.274141D+01 -0.122699D+01
      2   0.447732D+00 -0.107464D+01 -0.133293D+00 -0.122699D+01  0.605403D+01
      3   0.806988D+00 -0.133293D+00  0.183444D+00  0.949024D+00 -0.978097D+00
               231           232           233           234           235 
      1   0.949024D+00  0.179189D+01 -0.415390D+00  0.538792D+00  0.821637D+00
      2  -0.978097D+00 -0.415390D+00  0.629746D-01  0.492308D+00 -0.731551D+00
      3   0.132550D+01  0.538792D+00  0.492308D+00 -0.271213D+00  0.866132D-02
               236           237           238           239           240 
      1  -0.731551D+00  0.866132D-02 -0.124236D+01  0.894647D-01 -0.428853D+00
      2  -0.867331D-01 -0.382931D+00  0.894647D-01  0.739404D+00 -0.583665D+00
      3  -0.382931D+00  0.720470D+00 -0.428853D+00 -0.583665D+00 -0.372318D+00
               241           242           243           244           245 
      1  -0.201745D+01  0.268671D+00 -0.998752D+00 -0.374077D+01  0.112394D+01
      2   0.268671D+00 -0.108240D+01  0.123187D+01  0.112394D+01 -0.381519D+01
      3  -0.998752D+00  0.123187D+01 -0.746105D+01  0.169898D+01 -0.202899D+01
               246           247           248           249           250 
      1   0.169898D+01  0.170847D+01 -0.133780D+01 -0.979971D+00  0.132394D+01
      2  -0.202899D+01 -0.133780D+01  0.148475D+01  0.292908D+00 -0.852024D+00
      3  -0.198355D+01 -0.979971D+00  0.292908D+00  0.744082D+00 -0.101472D+01
               251           252           253           254           255 
      1  -0.852024D+00 -0.101472D+01  0.899620D+00  0.686224D+00  0.131333D+01
      2  -0.280412D-01  0.661010D+00  0.686224D+00  0.165811D+01  0.491248D+00
      3   0.661010D+00  0.187730D+01  0.131333D+01  0.491248D+00  0.210316D+01
               256           257           258           259           260 
      1   0.481937D+00 -0.752389D-01 -0.233891D+00  0.117527D+01  0.224540D+00
      2  -0.752389D-01 -0.206551D+01 -0.337166D+00  0.224540D+00  0.161000D+01
      3  -0.233891D+00 -0.337166D+00 -0.647652D+00  0.117125D+01  0.920624D+00
               261           262           263           264           265 
      1   0.117125D+01  0.470682D+01 -0.951678D+00 -0.193925D+01 -0.271037D+01
      2   0.920624D+00 -0.951678D+00  0.190714D+01  0.772703D+00  0.192242D+00
      3   0.583564D+01 -0.193925D+01  0.772703D+00  0.159732D+01  0.191047D+01
               266           267           268           269           270 
      1   0.192242D+00  0.191047D+01 -0.105945D+01  0.101998D+01  0.101231D+01
      2  -0.212762D+01  0.233870D-01  0.101998D+01 -0.157676D+00 -0.600252D+00
      3   0.233870D-01 -0.145277D+01  0.101231D+01 -0.600252D+00 -0.181302D+01
               271           272           273           274           275 
      1  -0.162030D+01 -0.132191D+01  0.886297D-01  0.527798D-01 -0.210567D-01
      2  -0.132191D+01 -0.102476D+01  0.103195D+01 -0.210567D-01  0.125255D+01
      3   0.886297D-01  0.103195D+01 -0.172782D+01  0.314393D+00 -0.951182D+00
               276           277           278           279           280 
      1   0.314393D+00 -0.131664D+01 -0.300792D+00  0.195851D+00 -0.107955D+01
      2  -0.951182D+00 -0.300792D+00 -0.144388D+01  0.140695D+01 -0.730314D+00
      3   0.139558D+01  0.195851D+00  0.140695D+01 -0.601822D+01 -0.105469D+01
               281           282           283           284           285 
      1  -0.730314D+00 -0.105469D+01 -0.156591D+01 -0.132014D+01 -0.584989D+00
      2  -0.389282D+00 -0.180928D+00 -0.132014D+01 -0.422055D+01 -0.212386D+01
      3  -0.180928D+00 -0.449967D+00 -0.584989D+00 -0.212386D+01 -0.228625D+01
               286           287           288           289           290 
      1  -0.166461D+01 -0.432011D+00 -0.965611D+00 -0.983460D+01  0.246378D+01
      2  -0.432011D+00 -0.157410D+01 -0.148599D+01  0.246378D+01 -0.164327D+01
      3  -0.965611D+00 -0.148599D+01 -0.220810D+01 -0.271023D+01  0.671211D+00
               291           292           293           294           295 
      1  -0.271023D+01  0.488963D+01 -0.261513D+01  0.158206D+01 -0.299908D+01
      2   0.671211D+00 -0.261513D+01  0.138169D+01 -0.128410D+01  0.837421D+00
      3  -0.192432D+01  0.158206D+01 -0.128410D+01  0.939464D+00 -0.253050D+01
               296           297           298           299           300 
      1   0.837421D+00 -0.253050D+01 -0.979997D+01 -0.248880D+01  0.269104D+01
      2  -0.763485D+00  0.643290D+00 -0.248880D+01 -0.166030D+01  0.673666D+00
      3   0.643290D+00 -0.156452D+01  0.269104D+01  0.673666D+00 -0.191265D+01
               301           302           303           304           305 
      1  -0.492027D+01 -0.264331D+01  0.158381D+01  0.297837D+01  0.841475D+00
      2  -0.264331D+01 -0.141224D+01  0.128961D+01  0.841475D+00  0.767074D+00
      3   0.158381D+01  0.128961D+01 -0.944610D+00 -0.251874D+01 -0.651398D+00
               306           307           308           309           310 
      1  -0.251874D+01 -0.110207D+01  0.735396D+00  0.105870D+01  0.157741D+01
      2  -0.651398D+00  0.735396D+00 -0.407081D+00 -0.188563D+00 -0.133778D+01
      3   0.155287D+01  0.105870D+01 -0.188563D+00 -0.461075D+00 -0.594559D+00
               311           312           313           314           315 
      1  -0.133778D+01 -0.594559D+00  0.166935D+01 -0.435948D+00 -0.973141D+00
      2   0.420933D+01  0.211916D+01 -0.435948D+00  0.156955D+01  0.148125D+01
      3   0.211916D+01  0.228382D+01 -0.973141D+00  0.148125D+01  0.220495D+01
               316           317           318           319           320 
      1   0.809760D+00  0.736133D+00 -0.599652D-02  0.125196D+01  0.994839D-01
      2   0.736133D+00 -0.802899D-01 -0.382130D+00  0.994839D-01 -0.733667D+00
      3  -0.599652D-02 -0.382130D+00  0.711956D+00 -0.433447D+00  0.579015D+00
               321           322           323           324           325 
      1  -0.433447D+00  0.201550D+01  0.272886D+00 -0.100127D+01  0.454426D+00
      2   0.579015D+00  0.272886D+00  0.108128D+01 -0.122380D+01 -0.435384D+00
      3   0.388466D+00 -0.100127D+01 -0.122380D+01  0.746374D+01 -0.810330D+00
               326           327           328           329           330 
      1  -0.435384D+00 -0.810330D+00 -0.273503D+01 -0.121860D+01  0.945420D+00
      2  -0.105128D+01 -0.138811D+00 -0.121860D+01 -0.606568D+01  0.991449D+00
      3  -0.138811D+00  0.188313D+00  0.945420D+00  0.991449D+00 -0.132855D+01
               331           332           333 
      1  -0.178519D+01 -0.418966D+00  0.537130D+00
      2  -0.418966D+00 -0.553577D-01 -0.491762D+00
      3   0.537130D+00 -0.491762D+00  0.278066D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.251540D+01 -0.271802D+00  0.232340D-01  0.498534D+00 -0.221460D+01
      2  -0.316128D+01 -0.708797D+01  0.775521D+01 -0.807069D+01 -0.864704D+01
      3  -0.868040D+01 -0.219881D+01  0.317662D+01  0.143841D+01  0.107501D+02
                 6             7             8             9            10 
      1  -0.443830D+01  0.766686D+00 -0.712747D+00 -0.479513D+00  0.252221D+01
      2  -0.641562D+01  0.259537D+01 -0.366164D+00  0.391148D+00  0.321497D+01
      3   0.931921D+01  0.371937D+01  0.989949D+01  0.348409D+01  0.871153D+01
                11            12            13            14            15 
      1   0.339753D+00 -0.416024D-01 -0.429098D+00 -0.222797D+01 -0.445121D+01
      2  -0.712413D+01  0.775204D+01 -0.813285D+01  0.856400D+01  0.641578D+01
      3  -0.205227D+01  0.323156D+01  0.158763D+01 -0.107349D+02 -0.930592D+01
                16            17            18            19            20 
      1  -0.774540D+00 -0.705490D+00 -0.469186D+00  0.390644D-01  0.697707D+01
      2   0.256572D+01  0.353019D+00 -0.373989D+00 -0.159187D+02  0.574676D+00
      3   0.377605D+01 -0.989555D+01 -0.346872D+01 -0.908899D+01  0.464459D+01
                21            22            23            24            25 
      1   0.106842D+01  0.165849D+02  0.150002D+02 -0.931899D+01  0.924385D+01
      2  -0.331270D+01 -0.129695D+01 -0.274198D+01 -0.604912D+00 -0.223189D+02
      3  -0.206956D+00  0.235174D+02  0.164552D+02 -0.850383D+01  0.212638D+01
                26            27            28            29            30 
      1   0.609880D+01 -0.126994D+02 -0.252854D+01 -0.739843D-02  0.117756D-01
      2  -0.801363D+01  0.211357D+02 -0.157067D-01  0.214357D+01  0.103193D+01
      3  -0.262494D+01  0.633733D+00 -0.231614D-02 -0.152343D+01  0.142692D+01
                31            32            33            34            35 
      1  -0.254097D-01  0.633576D+00 -0.587815D+00 -0.196403D-03 -0.143565D+01
      2   0.372614D-01 -0.129796D-02 -0.826841D-02  0.236004D+01  0.114849D-01
      3  -0.470133D+00  0.150396D-01  0.263229D-01  0.660105D+00  0.885489D-02
                36            37            38            39            40 
      1   0.195934D+00 -0.788161D+01  0.766611D+01  0.767178D+01  0.994203D+01
      2  -0.126205D-01 -0.177582D+02 -0.789084D+01  0.752180D+01  0.141232D+01
      3  -0.112226D-02 -0.226288D+02 -0.308515D+01  0.123726D+02  0.153288D+02
                41            42            43            44            45 
      1   0.947423D+01 -0.262032D+01  0.113778D+02  0.837606D+01 -0.718506D+01
      2  -0.624860D+00 -0.977721D+01 -0.158323D+02 -0.163641D+02  0.171688D+02
      3   0.140433D+02 -0.616900D+01  0.562953D+01 -0.501745D+01  0.279619D+01
                46            47            48            49            50 
      1   0.634876D+01 -0.418002D+01  0.319572D+01 -0.322382D+01 -0.740978D+01
      2  -0.413438D+01  0.540135D+01 -0.252444D+01  0.380986D+01  0.536441D+01
      3  -0.438691D+01  0.107187D+01 -0.917274D+01  0.748706D+01 -0.242775D+01
                51            52            53            54            55 
      1  -0.709738D+01  0.167571D+01 -0.347807D+01  0.122887D+01 -0.852020D+00
      2   0.348582D+01 -0.449696D+01  0.428157D+01 -0.119186D+01 -0.885135D+00
      3  -0.344884D+01 -0.136255D+02 -0.149454D+01 -0.590792D+01  0.680884D+01
                56            57            58            59            60 
      1   0.839110D+01 -0.766778D+01  0.999506D+01  0.217496D+01 -0.532474D+00
      2  -0.357818D+01  0.468363D+01 -0.330206D+01  0.824147D+00  0.817961D+00
      3  -0.589419D+01  0.185217D+01  0.159236D+00 -0.447043D+00 -0.940679D+01
                61            62            63            64            65 
      1  -0.709462D+01  0.719106D+00 -0.133814D+01  0.562019D+00  0.211265D+01
      2   0.408429D+00  0.106510D+01  0.451547D+00 -0.299940D+01  0.159459D+02
      3   0.587851D+01 -0.122985D+02  0.632349D+01  0.361834D+00 -0.287946D+02
                66            67            68            69            70 
      1   0.726168D+01 -0.365692D+01 -0.157741D+02  0.273078D+01  0.704428D+01
      2   0.110197D+02  0.904648D+01 -0.384622D+01 -0.488788D+01  0.126805D+01
      3  -0.117693D+02 -0.917202D+01  0.829543D+01  0.784813D+01 -0.677884D+01
                71            72            73            74            75 
      1   0.264921D+02  0.176095D+02  0.804115D-01 -0.704007D+01 -0.100200D+01
      2  -0.121487D+01  0.212470D+01  0.159890D+02  0.580401D+00 -0.324224D+01
      3   0.241886D+01 -0.270444D+01  0.901652D+01  0.471080D+01 -0.220269D+00
                76            77            78            79            80 
      1  -0.166204D+02  0.149124D+02 -0.929474D+01 -0.918885D+01  0.607396D+01
      2  -0.132483D+01  0.281013D+01  0.591083D+00 -0.222997D+02  0.799553D+01
      3   0.235319D+02 -0.163456D+02  0.847010D+01  0.213291D+01  0.262275D+01
                81            82            83            84            85 
      1  -0.126233D+02 -0.788420D+01 -0.768728D+01 -0.773003D+01 -0.100007D+02
      2  -0.211893D+02  0.176794D+02 -0.789701D+01  0.746754D+01  0.144673D+01
      3  -0.669009D+00  0.225328D+02 -0.302182D+01  0.123877D+02  0.154400D+02
                86            87            88            89            90 
      1   0.941833D+01 -0.267413D+01 -0.113697D+02  0.827439D+01 -0.713435D+01
      2   0.592667D+00  0.983813D+01 -0.158921D+02  0.163485D+02 -0.171411D+02
      3  -0.140185D+02  0.623843D+01  0.561775D+01  0.506040D+01 -0.279595D+01
                91            92            93            94            95 
      1   0.630437D+01  0.422245D+01 -0.312481D+01  0.326827D+01 -0.732643D+01
      2   0.413194D+01  0.546068D+01 -0.248976D+01  0.384469D+01 -0.531619D+01
      3   0.437214D+01  0.113812D+01 -0.919453D+01  0.750551D+01  0.246164D+01
                96            97            98            99           100 
      1  -0.711918D+01 -0.161152D+01 -0.350389D+01  0.120494D+01 -0.762379D+00
      2  -0.354903D+01 -0.445229D+01 -0.434790D+01  0.118288D+01  0.919114D+00
      3   0.337774D+01 -0.136144D+02  0.139668D+01  0.590784D+01 -0.676091D+01
               101           102           103           104           105 
      1  -0.843554D+01  0.760347D+01 -0.100351D+02  0.215643D+01 -0.450843D+00
      2  -0.360789D+01  0.470398D+01 -0.334216D+01 -0.839963D+00 -0.800800D+00
      3  -0.597424D+01  0.180088D+01  0.115865D+00  0.366287D+00  0.943895D+01
               106           107           108           109           110 
      1   0.703381D+01  0.796683D+00 -0.129940D+01  0.534711D+00 -0.211406D+01
      2   0.421538D+00 -0.106095D+01 -0.448418D+00  0.291851D+01  0.159277D+02
      3   0.580475D+01  0.123592D+02 -0.627127D+01 -0.235179D+00 -0.287486D+02
               111           112           113           114           115 
      1  -0.730712D+01  0.369625D+01 -0.158154D+02  0.264540D+01 -0.712672D+01
      2   0.109658D+02  0.906041D+01  0.388639D+01  0.494221D+01  0.123043D+01
      3  -0.117272D+02 -0.913632D+01 -0.842398D+01 -0.789218D+01 -0.675169D+01
               116           117           118           119           120 
      1   0.264609D+02  0.176329D+02 -0.449080D+01  0.106065D+01 -0.316426D+01
      2   0.130341D+01 -0.207100D+01  0.534182D+01 -0.109117D+01  0.550805D+01
      3  -0.244355D+01  0.269101D+01  0.121495D+02 -0.453183D+01  0.502242D+01
               121           122           123           124           125 
      1   0.157767D+01 -0.113176D+01  0.773588D+00 -0.449600D+01  0.233310D+01
      2  -0.196256D+01  0.145173D+01 -0.225742D+01  0.462046D+01 -0.676942D+00
      3  -0.390497D+01  0.715010D+01 -0.299818D+01  0.852145D+01 -0.500416D+01
               126           127           128           129           130 
      1  -0.611022D+01  0.149297D+01  0.939238D+00 -0.358491D+01  0.194037D+01
      2   0.718796D+01 -0.723710D+00 -0.116443D+01  0.357520D+01 -0.177575D+01
      3   0.517303D+01  0.460586D+01 -0.433277D+00 -0.872116D+00  0.860034D+00
               131           132           133           134           135 
      1   0.948747D+00 -0.411095D+01 -0.170389D+01  0.381448D+00  0.528841D+01
      2  -0.229785D+01  0.354974D+01  0.953267D+00  0.186964D+01 -0.483242D+01
      3  -0.562181D+01  0.764359D+00  0.125964D+01  0.396732D+01  0.155819D+00
               136           137           138           139           140 
      1   0.478840D+01 -0.351705D+01  0.526276D+01 -0.245531D+01  0.361517D+01
      2  -0.100255D+01  0.666711D+00  0.349181D+00  0.582531D+00 -0.737071D+00
      3  -0.123964D+02  0.368512D+01 -0.523610D+01  0.433903D+01 -0.699872D+01
               141           142           143           144           145 
      1  -0.397548D+01  0.455636D+01 -0.435832D+01  0.923892D+01 -0.400827D+00
      2   0.178065D+00 -0.231583D+01  0.525166D+00 -0.164939D+01 -0.392287D+00
      3   0.277819D+01 -0.858765D+01  0.483417D+01 -0.519970D+01  0.318726D+01
               146           147           148           149           150 
      1  -0.207293D+01 -0.193835D+01 -0.844834D+00 -0.358478D+01 -0.686269D+01
      2   0.811587D-01  0.907014D+00 -0.514630D+00  0.107688D+01  0.200915D+01
      3   0.371968D+01  0.949856D+00  0.512177D+01 -0.212168D+01 -0.398262D+00
               151           152           153           154           155 
      1  -0.413226D+00 -0.216361D+01 -0.665799D+01  0.474320D+01  0.353582D+01
      2  -0.145355D+01  0.319430D+00  0.206697D+01  0.100135D+01  0.679150D+00
      3   0.262088D+01  0.308869D+01 -0.272514D+00  0.123496D+02  0.374266D+01
               156           157           158           159           160 
      1  -0.523726D+01  0.246866D+01  0.364495D+01 -0.401549D+01 -0.451133D+01
      2   0.337411D+00  0.594414D+00  0.746779D+00 -0.192609D+00 -0.231522D+01
      3  -0.520512D+01  0.438841D+01  0.705857D+01 -0.279950D+01 -0.855269D+01
               161           162           163           164           165 
      1  -0.439405D+01  0.921119D+01 -0.422642D+00  0.208758D+01  0.197751D+01
      2  -0.553775D+00  0.167451D+01  0.395848D+00  0.921862D-01  0.926449D+00
      3  -0.487676D+01  0.518186D+01 -0.323541D+01  0.370447D+01  0.958167D+00
               166           167           168           169           170 
      1   0.873325D+00 -0.358991D+01 -0.685077D+01  0.443976D+00 -0.217847D+01
      2  -0.504268D+00 -0.109724D+01 -0.203334D+01 -0.145327D+01 -0.330709D+00
      3   0.509137D+01  0.214620D+01  0.393742D+00  0.264632D+01 -0.309109D+01
               171           172           173           174           175 
      1  -0.669068D+01 -0.445568D+01 -0.107300D+01  0.313190D+01 -0.158557D+01
      2  -0.210472D+01 -0.534188D+01 -0.112088D+01  0.550217D+01 -0.198826D+01
      3   0.256296D+00 -0.121346D+02 -0.458191D+01  0.501478D+01 -0.394780D+01
               176           177           178           179           180 
      1  -0.114641D+01  0.786639D+00  0.445423D+01  0.236594D+01 -0.606801D+01
      2  -0.147892D+01  0.229363D+01  0.462162D+01  0.719210D+00 -0.719166D+01
      3  -0.722307D+01  0.302726D+01  0.849680D+01  0.505392D+01 -0.517460D+01
               181           182           183           184           185 
      1   0.149505D+01 -0.931860D+00  0.358318D+01 -0.192821D+01  0.921671D+00
      2   0.733691D+00 -0.117061D+01  0.359800D+01 -0.178343D+01  0.227997D+01
      3  -0.461556D+01 -0.474849D+00 -0.866071D+00  0.820217D+00  0.562235D+01
               186           187           188           189           190 
      1  -0.408558D+01  0.169056D+01  0.395843D+00  0.526055D+01  0.476418D+01
      2  -0.354971D+01  0.952884D+00 -0.184998D+01  0.483852D+01 -0.331387D+01
      3  -0.762238D+00  0.126643D+01 -0.394308D+01 -0.158068D+00 -0.752410D+01
               191           192           193           194           195 
      1   0.423914D+01  0.332609D+01  0.442235D+01  0.582819D+01  0.208724D+01
      2  -0.109107D+01  0.668673D+00 -0.472092D+01  0.508607D+00 -0.422556D+00
      3  -0.610862D+01 -0.372836D+01 -0.656055D+01 -0.684367D+01 -0.369590D+01
               196           197           198           199           200 
      1   0.222499D+01  0.231981D+01  0.275980D+01  0.154355D+01 -0.182727D+01
      2   0.520688D+00  0.638647D+00  0.119446D+01 -0.330731D+00  0.244461D+01
      3  -0.211936D+01 -0.830028D+00 -0.307910D+01 -0.197540D+01  0.244962D+01
               201           202           203           204           205 
      1  -0.696599D+00  0.430438D+00 -0.459736D+00 -0.776625D+00 -0.226070D-01
      2  -0.578666D+01  0.149481D+01  0.181485D+01 -0.297921D+01 -0.168413D+01
      3  -0.277453D+01  0.139095D+01  0.134475D+01 -0.191641D+01 -0.151236D+00
               206           207           208           209           210 
      1   0.153400D+01  0.422808D+01 -0.313909D+01  0.321299D+01 -0.202483D+01
      2  -0.304198D+01  0.121398D+02 -0.863156D+01 -0.374132D+01 -0.336126D+01
      3  -0.247597D+01  0.254769D+01  0.126229D+02  0.352109D+01  0.585933D+01
               211           212           213           214           215 
      1   0.176980D+00 -0.818535D+00 -0.165134D+01 -0.245383D+01 -0.463705D+00
      2  -0.193842D+01 -0.112993D+01 -0.118310D+01 -0.263819D+01 -0.532935D+00
      3   0.307322D+01  0.207159D+01  0.143681D+01  0.232297D+01  0.145220D+01
               216           217           218           219           220 
      1  -0.241697D+01 -0.241058D+01 -0.386025D+00  0.529550D+01 -0.351517D+00
      2  -0.188706D+01  0.193150D+01 -0.155470D+01 -0.164077D+01  0.731512D+00
      3   0.313464D+01 -0.238776D+01  0.105232D+01  0.311818D+01 -0.456072D-01
               221           222           223           224           225 
      1   0.612788D+00  0.285208D+01  0.237469D+01  0.734534D-01 -0.123242D+02
      2  -0.200891D+01 -0.134150D+01 -0.273914D+01  0.727366D+00  0.200263D+01
      3   0.290918D+01  0.138479D+01  0.235262D+01 -0.115114D+01 -0.264874D+01
               226           227           228           229           230 
      1   0.378792D+00 -0.872163D+00  0.739560D+00  0.223783D+01 -0.105977D+02
      2   0.139221D+01  0.715913D+00  0.150539D+01  0.300707D+01  0.589448D+00
      3   0.738573D+00  0.372521D+00 -0.455118D+00  0.120868D+01  0.128445D+02
               231           232           233           234           235 
      1  -0.211668D-02  0.217803D+01 -0.222831D+01  0.866687D-01 -0.148808D+01
      2  -0.986728D+00  0.187392D+01 -0.186736D+01  0.894016D+00  0.161526D+01
      3  -0.153372D+01  0.365742D+00  0.204095D+01  0.562803D+00  0.175591D+01
               236           237           238           239           240 
      1   0.648591D+00 -0.184235D+01  0.774798D+00  0.128136D+00  0.166830D+01
      2   0.117078D+01 -0.259332D+01 -0.360865D+00  0.158687D+01  0.798155D+00
      3  -0.701852D+00 -0.422260D+00 -0.284944D-02  0.576876D+00 -0.169711D+01
               241           242           243           244           245 
      1   0.162924D+01  0.679550D+00  0.732200D+01 -0.315173D+01 -0.319595D+01
      2  -0.168235D+01 -0.283129D+01  0.146522D+02  0.862685D+01 -0.373413D+01
      3  -0.249135D+01 -0.147719D+01  0.147429D+01 -0.126319D+02  0.348957D+01
               246           247           248           249           250 
      1   0.205316D+01 -0.175707D+00 -0.836148D+00 -0.165010D+01  0.246750D+01
      2  -0.335688D+01 -0.191300D+01  0.110506D+01  0.116700D+01 -0.263029D+01
      3   0.586621D+01  0.303506D+01 -0.205591D+01 -0.142025D+01  0.233023D+01
               251           252           253           254           255 
      1  -0.456937D+00 -0.242797D+01 -0.241362D+01  0.379411D+00 -0.531487D+01
      2   0.530722D+00  0.188205D+01 -0.194676D+01 -0.157041D+01 -0.166479D+01
      3  -0.145671D+01 -0.314436D+01  0.239659D+01  0.107574D+01  0.313280D+01
               256           257           258           259           260 
      1   0.337300D+00  0.591831D+00  0.281187D+01 -0.237645D+01  0.528101D-01
      2   0.715998D+00  0.200778D+01  0.134244D+01 -0.274849D+01 -0.741220D+00
      3  -0.294755D-01 -0.289962D+01 -0.137308D+01  0.235550D+01  0.116318D+01
               261           262           263           264           265 
      1  -0.123139D+02  0.478327D+01 -0.424477D+01 -0.331299D+01 -0.440435D+01
      2  -0.204929D+01  0.336230D+01 -0.110844D+01  0.660495D+00 -0.474071D+01
      3   0.266193D+01  0.758833D+01 -0.613972D+01 -0.372383D+01 -0.657697D+01
               266           267           268           269           270 
      1   0.581545D+01  0.205092D+01 -0.221292D+01  0.229716D+01  0.273397D+01
      2  -0.484596D+00  0.429542D+00  0.531765D+00 -0.628286D+00 -0.118034D+01
      3   0.684438D+01  0.365969D+01 -0.209894D+01  0.803375D+00  0.305830D+01
               271           272           273           274           275 
      1   0.152405D+01  0.181491D+01  0.718893D+00 -0.430685D+00 -0.443018D+00
      2   0.341987D+00  0.244946D+01 -0.578369D+01  0.149575D+01 -0.179165D+01
      3   0.197122D+01  0.244779D+01 -0.276382D+01  0.139568D+01 -0.131879D+01
               276           277           278           279           280 
      1  -0.778365D+00  0.211781D-01  0.153302D+01  0.428320D+01  0.747026D+00
      2   0.293447D+01 -0.167181D+01  0.303046D+01 -0.121633D+02  0.405123D+01
      3   0.189831D+01 -0.148926D+00  0.247624D+01 -0.253040D+01 -0.287598D+01
               281           282           283           284           285 
      1   0.555546D-01  0.130232D+00  0.135480D+01  0.537684D+01  0.650027D+00
      2  -0.560227D+00  0.374569D+00 -0.534627D+00  0.632200D+01  0.830843D+01
      3  -0.859349D+00 -0.502474D+00 -0.134294D+01 -0.163079D+02 -0.768812D+01
               286           287           288           289           290 
      1   0.141400D+00  0.308702D+01  0.118354D+01 -0.128751D+01  0.157059D+01
      2  -0.369771D+00  0.519227D+01  0.641485D+01 -0.134099D+01 -0.275236D+00
      3  -0.116234D+01 -0.589491D+01 -0.588636D+01  0.436290D+01 -0.646287D+01
               291           292           293           294           295 
      1  -0.678168D-01  0.167847D+01 -0.140605D+01 -0.958041D-01 -0.568524D-01
      2   0.585669D+01  0.439062D+01  0.116733D+01 -0.127398D+01  0.249587D+01
      3   0.204260D+01 -0.307486D+01  0.469469D+01 -0.341397D+01 -0.231131D+00
               296           297           298           299           300 
      1   0.133895D+01  0.605345D-01 -0.128414D+01 -0.156526D+01  0.423405D-01
      2  -0.156111D+01  0.280840D+01  0.132017D+01 -0.270060D+00  0.585033D+01
      3  -0.314396D+01  0.100946D+01 -0.435387D+01 -0.647672D+01  0.202819D+01
               301           302           303           304           305 
      1  -0.170153D+01 -0.141420D+01 -0.106307D+00  0.480656D-01  0.132713D+01
      2   0.441135D+01 -0.115050D+01  0.130152D+01  0.249345D+01  0.157541D+01
      3  -0.309590D+01 -0.475353D+01  0.341870D+01 -0.236667D+00  0.313689D+01
               306           307           308           309           310 
      1   0.685683D-01  0.760861D+00 -0.834959D-01 -0.135523D+00 -0.137889D+01
      2  -0.278459D+01 -0.404016D+01 -0.536869D+00  0.420370D+00 -0.508726D+00
      3  -0.101272D+01  0.287418D+01 -0.944356D+00 -0.544079D+00 -0.143793D+01
               311           312           313           314           315 
      1   0.537656D+01  0.666298D+00 -0.156822D+00  0.309741D+01  0.119705D+01
      2  -0.629266D+01 -0.830419D+01 -0.334548D+00 -0.517551D+01 -0.640890D+01
      3   0.163023D+02  0.768096D+01 -0.119522D+01  0.589187D+01  0.588175D+01
               316           317           318           319           320 
      1  -0.147555D+01 -0.659328D+00  0.183845D+01 -0.788768D+00  0.132773D+00
      2  -0.161371D+01  0.115618D+01 -0.256896D+01 -0.367653D+00 -0.157950D+01
      3  -0.176010D+01 -0.714766D+00 -0.414798D+00 -0.217311D-01 -0.571869D+00
               321           322           323           324           325 
      1   0.169506D+01 -0.163309D+01  0.669154D+00  0.738352D+01  0.400703D+00
      2  -0.831437D+00 -0.168303D+01  0.280465D+01 -0.146302D+02 -0.141697D+01
      3   0.169947D+01 -0.249953D+01  0.146031D+01 -0.144349D+01 -0.731269D+00
               326           327           328           329           330 
      1   0.911657D+00 -0.742562D+00 -0.222033D+01 -0.105954D+02  0.125306D-01
      2   0.713823D+00  0.150013D+01  0.300156D+01 -0.632667D+00  0.996411D+00
      3   0.420366D+00 -0.468010D+00  0.122726D+01 -0.128386D+02  0.156127D+01
               331           332           333 
      1  -0.216985D+01 -0.222160D+01  0.869135D-01
      2   0.185506D+01  0.186752D+01 -0.900060D+00
      3   0.361514D+00 -0.201591D+01 -0.565746D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.246410D+02  0.265830D+02 -0.227759D+02  0.325375D+02 -0.360540D+01
      2   0.159192D+02 -0.153769D+02  0.112855D+02 -0.188435D+02  0.357212D+01
      3   0.872183D+01 -0.112060D+02  0.114904D+02 -0.136941D+02  0.332729D-01
      4   0.237599D+02 -0.668810D+01  0.435579D+01 -0.896620D+01 -0.114351D+02
      5  -0.222474D+02  0.578613D+01 -0.791454D+01  0.102613D+02 -0.189866D+02
      6   0.767755D+01 -0.580651D+00 -0.756516D+00 -0.465129D+01 -0.498223D+01
                 6             7             8             9            10 
      1   0.782726D+01 -0.152791D+02  0.519739D+01 -0.440325D+01 -0.242630D+02
      2  -0.478887D+01  0.678611D+01 -0.333788D+01  0.306540D+00  0.155913D+02
      3  -0.303839D+01  0.849303D+01 -0.185951D+01  0.409671D+01  0.867171D+01
      4  -0.164083D+02  0.455881D+01 -0.135022D+02 -0.355413D+01 -0.238785D+02
      5  -0.573926D+01 -0.803998D+01 -0.364815D+01  0.370300D+01  0.220956D+02
      6  -0.623269D+01  0.796606D-01 -0.564680D+01 -0.158736D+01  0.770729D+01
                11            12            13            14            15 
      1  -0.266181D+02  0.227027D+02 -0.326173D+02 -0.405412D+01  0.770542D+01
      2   0.153548D+02 -0.112019D+02  0.188472D+02  0.383687D+01 -0.467899D+01
      3   0.112634D+02 -0.115008D+02  0.137701D+02  0.217252D+00 -0.302643D+01
      4  -0.705526D+01  0.435985D+01 -0.940938D+01  0.113525D+02  0.164822D+02
      5   0.571049D+01 -0.783256D+01  0.101710D+02  0.190804D+02  0.575648D+01
      6   0.660814D+00  0.781693D+00  0.475994D+01 -0.487784D+01 -0.618312D+01
                16            17            18            19            20 
      1   0.151878D+02  0.506392D+01 -0.433648D+01  0.177392D+02  0.137118D+02
      2  -0.669858D+01 -0.322150D+01  0.292915D+00 -0.181029D+02 -0.101190D+02
      3  -0.848924D+01 -0.184242D+01  0.404357D+01  0.363705D+00 -0.359279D+01
      4   0.452269D+01  0.135573D+02  0.355496D+01  0.519139D+01 -0.102786D+01
      5  -0.798392D+01  0.366199D+01 -0.372686D+01 -0.119331D+02 -0.327769D+01
      6  -0.548526D-01 -0.562593D+01 -0.158897D+01 -0.780184D+01  0.141211D+01
                21            22            23            24            25 
      1  -0.129712D+02  0.614902D+01  0.338445D+01  0.170350D+01 -0.574009D+01
      2   0.120013D+02 -0.482098D+01 -0.100569D+02  0.471181D+00  0.580931D+01
      3   0.969916D+00 -0.132804D+01  0.667246D+01 -0.217468D+01 -0.692149D-01
      4  -0.104065D+01 -0.899812D+00 -0.125399D+02 -0.138065D+01 -0.859505D+00
      5   0.767558D+01 -0.175101D+01 -0.262104D+01  0.169568D+01  0.560051D+01
      6   0.166902D+01  0.251128D+00  0.500126D+01  0.305190D+01  0.118667D+00
                26            27            28            29            30 
      1  -0.510407D+00  0.120231D+02 -0.115179D+02 -0.574301D-02  0.211425D-01
      2  -0.662298D+00  0.473241D+01  0.233613D+01 -0.415686D-03 -0.248818D-01
      3   0.117271D+01 -0.167555D+02  0.918181D+01  0.615870D-02  0.373931D-02
      4   0.445023D+00 -0.167050D+01 -0.624609D-03 -0.596397D+01 -0.477845D+01
      5  -0.525095D+00  0.810765D+01  0.185468D-01 -0.285185D+01 -0.193840D+01
      6   0.280371D+01  0.310128D+01 -0.259029D+01 -0.432721D-02  0.613238D-02
                31            32            33            34            35 
      1  -0.147277D-01  0.206642D+01 -0.491965D+01  0.173289D-01 -0.795141D+01
      2   0.135611D-01 -0.106469D+02  0.636885D+01 -0.226211D-01  0.872313D+01
      3   0.116652D-02  0.858050D+01 -0.144920D+01  0.529220D-02 -0.771718D+00
      4  -0.739285D+01  0.465951D-02 -0.239624D-01 -0.829159D+01 -0.151882D-01
      5  -0.253710D+01 -0.669858D-02 -0.740502D-02  0.540282D+01 -0.415977D-02
      6  -0.514194D-02  0.343153D+01 -0.151741D+01  0.813414D-02  0.413682D+01
                36            37            38            39            40 
      1  -0.550838D+00 -0.839052D+01  0.168408D+01  0.109409D+02  0.562755D+00
      2  -0.570478D+00  0.127010D+02 -0.392518D+01 -0.816761D+01  0.903496D+00
      3   0.112132D+01 -0.431051D+01  0.224110D+01 -0.277326D+01 -0.146625D+01
      4  -0.511362D-02  0.126157D+02  0.684352D+01 -0.879105D+01  0.108721D+02
      5   0.139873D-01  0.300324D+01 -0.119373D+02  0.210493D+01 -0.115601D+02
      6  -0.894930D+00 -0.415439D+01 -0.564234D+01  0.670937D+01 -0.463555D+01
                41            42            43            44            45 
      1  -0.664920D+01 -0.562817D+01  0.918476D+01 -0.568744D+01  0.674641D+01
      2   0.570696D+01 -0.475173D+01 -0.492291D+01 -0.104934D+01  0.303515D+01
      3   0.942237D+00  0.103799D+02 -0.426185D+01  0.673679D+01 -0.978156D+01
      4   0.976287D+01 -0.101682D+02 -0.307219D+01 -0.623410D+01  0.287283D+01
      5  -0.505774D+01  0.371164D+01  0.110603D+01  0.107471D+01  0.195967D+01
      6  -0.340519D+01  0.556471D+00  0.441600D+01 -0.474807D+00  0.714114D+01
                46            47            48            49            50 
      1  -0.812160D+01  0.126660D+01 -0.139710D+02  0.243895D+01 -0.115695D+01
      2   0.184814D+01 -0.197615D+01  0.182671D+02 -0.746428D+01 -0.433222D-01
      3   0.627346D+01  0.709555D+00 -0.429606D+01  0.502533D+01  0.120027D+01
      4  -0.140897D+02 -0.881989D+01  0.907925D+01 -0.162308D+02 -0.123113D+02
      5  -0.335602D+01  0.138033D+02 -0.904721D+01  0.145604D+02  0.135893D+02
      6   0.215433D+01  0.158061D+02 -0.100060D+02  0.162850D+02  0.130876D+02
                51            52            53            54            55 
      1   0.639398D+01 -0.165940D+02  0.740161D+01 -0.939117D+01  0.409099D+01
      2   0.781966D+01  0.207346D+02  0.513442D+01  0.453080D+01 -0.418809D+01
      3  -0.142136D+02 -0.414055D+01 -0.125360D+02  0.486037D+01  0.970998D-01
      4   0.216657D+02  0.134460D+02  0.256184D+02 -0.117783D+02  0.315440D+01
      5  -0.196811D+01 -0.135677D+02 -0.447515D+01  0.139442D+01  0.148751D+01
      6  -0.554992D+01 -0.128994D+02 -0.578481D+01  0.241716D+01  0.495361D+01
                56            57            58            59            60 
      1   0.490290D+01  0.110112D+02  0.229928D+01  0.183676D+02  0.384193D+01
      2  -0.767645D+01 -0.208594D+02 -0.778264D+00 -0.275116D+02 -0.154342D+02
      3   0.277355D+01  0.984824D+01 -0.152102D+01  0.914394D+01  0.115923D+02
      4  -0.941710D+01  0.173189D+00 -0.305112D+01 -0.125782D+02 -0.213620D+02
      5  -0.336947D+01 -0.105776D+01 -0.353194D+01 -0.958659D+01 -0.444972D+01
      6  -0.189437D+02  0.371691D+01 -0.181450D+02 -0.211480D+02 -0.117552D+02
                61            62            63            64            65 
      1   0.142010D+02  0.874004D+01  0.106825D+02  0.226349D+01 -0.553370D+01
      2  -0.224593D+02 -0.197185D+02 -0.148211D+02 -0.118996D+01  0.539096D+01
      3   0.825834D+01  0.109784D+02  0.413860D+01 -0.107353D+01  0.142732D+00
      4   0.198734D+01 -0.251635D+02  0.137408D+01  0.836553D+01  0.142414D+01
      5  -0.270513D+00 -0.403479D+01 -0.129725D+01  0.294993D+01 -0.317243D+01
      6   0.431920D+01 -0.173507D+02 -0.118173D+01 -0.708528D+01  0.867541D+01
                66            67            68            69            70 
      1  -0.117000D+01 -0.539329D+01 -0.114538D+02 -0.501904D+01 -0.228454D+01
      2   0.114014D+02  0.187879D+01  0.137829D+02  0.794323D+01  0.102119D+02
      3  -0.102314D+02  0.351450D+01 -0.232912D+01 -0.292419D+01 -0.792734D+01
      4  -0.298708D+01 -0.271488D+01  0.168053D+02  0.125064D+02 -0.307150D+01
      5  -0.390777D+01 -0.197927D+01  0.179897D+01  0.278110D+01 -0.260933D+01
      6   0.425885D-02  0.941850D+01  0.124746D+02  0.572721D+01 -0.150928D+01
                71            72            73            74            75 
      1  -0.214232D+01  0.132753D+01  0.178198D+02 -0.136580D+02  0.129284D+02
      2   0.173631D+01  0.702965D+01 -0.181484D+02  0.101006D+02 -0.120042D+02
      3   0.406006D+00 -0.835717D+01  0.328566D+00  0.355740D+01 -0.924240D+00
      4   0.640701D+01 -0.898655D+00 -0.502639D+01 -0.120026D+01 -0.959924D+00
      5   0.187351D+01 -0.558582D+01  0.119678D+02 -0.326341D+01  0.771884D+01
      6   0.285767D+01 -0.523078D+01 -0.774133D+01 -0.147259D+01 -0.167228D+01
                76            77            78            79            80 
      1  -0.607831D+01  0.317367D+01  0.171961D+01  0.572821D+01 -0.526121D+00
      2   0.477539D+01 -0.989561D+01  0.383603D+00 -0.581538D+01 -0.724872D+00
      3   0.130292D+01  0.672194D+01 -0.210322D+01  0.871672D-01  0.125099D+01
      4  -0.102980D+01  0.125779D+02  0.139758D+01 -0.823646D+00 -0.431522D+00
      5  -0.171514D+01  0.259751D+01 -0.163951D+01  0.562081D+01  0.564197D+00
      6  -0.312899D+00  0.497086D+01  0.303892D+01 -0.118458D+00  0.278986D+01
                81            82            83            84            85 
      1   0.120769D+02 -0.824585D+01 -0.167303D+01 -0.109027D+02 -0.581299D+00
      2   0.470479D+01  0.125906D+02  0.398894D+01  0.818447D+01 -0.797075D+00
      3  -0.167817D+02 -0.434477D+01 -0.231592D+01  0.271826D+01  0.137837D+01
      4   0.171911D+01 -0.127442D+02  0.684786D+01 -0.891484D+01  0.108740D+02
      5  -0.809098D+01 -0.293128D+01 -0.120047D+02  0.207944D+01 -0.116139D+02
      6   0.313230D+01 -0.419467D+01  0.564772D+01 -0.673366D+01  0.462242D+01
                86            87            88            89            90 
      1  -0.657331D+01 -0.576799D+01 -0.918345D+01 -0.580599D+01  0.670995D+01
      2   0.567823D+01 -0.463398D+01  0.494511D+01 -0.950403D+00  0.298029D+01
      3   0.895077D+00  0.104020D+02  0.423834D+01  0.675639D+01 -0.969024D+01
      4  -0.978759D+01  0.101483D+02 -0.315204D+01  0.621233D+01 -0.285953D+01
      5   0.497338D+01 -0.374086D+01  0.106411D+01 -0.109674D+01 -0.196684D+01
      6  -0.335903D+01  0.482495D+00 -0.443858D+01 -0.519610D+00  0.712248D+01
                91            92            93            94            95 
      1  -0.823395D+01 -0.130710D+01  0.138790D+02 -0.239436D+01 -0.128809D+01
      2   0.192527D+01  0.201325D+01 -0.182658D+02  0.740820D+01  0.432745D-01
      3   0.630868D+01 -0.706148D+00  0.438686D+01 -0.501384D+01  0.124481D+01
      4   0.141246D+02 -0.885760D+01  0.932265D+01 -0.162904D+02  0.123181D+02
      5   0.323392D+01  0.139541D+02 -0.903916D+01  0.147034D+02 -0.135183D+02
      6   0.230382D+01 -0.158307D+02  0.993932D+01 -0.162935D+02  0.129256D+02
                96            97            98            99           100 
      1   0.664182D+01  0.164721D+02  0.769457D+01 -0.943146D+01  0.416107D+01
      2   0.757952D+01 -0.206749D+02  0.483781D+01  0.461889D+01 -0.427649D+01
      3  -0.142213D+02  0.420283D+01 -0.125324D+02  0.481257D+01  0.115412D+00
      4  -0.216515D+02  0.137108D+02 -0.255620D+02  0.116461D+02 -0.305287D+01
      5   0.193824D+01 -0.135682D+02  0.440494D+01 -0.141745D+01 -0.147584D+01
      6  -0.546599D+01  0.128020D+02 -0.568131D+01  0.242206D+01  0.476562D+01
               101           102           103           104           105 
      1  -0.482494D+01 -0.110461D+02 -0.226173D+01  0.181610D+02  0.359359D+01
      2   0.757046D+01  0.209629D+02  0.715364D+00 -0.271849D+02 -0.150856D+02
      3  -0.274552D+01 -0.991690D+01  0.154636D+01  0.902389D+01  0.114920D+02
      4  -0.957200D+01 -0.773003D-01 -0.313079D+01  0.125650D+02  0.214496D+02
      5  -0.350451D+01 -0.109267D+01 -0.365542D+01  0.963494D+01  0.452477D+01
      6   0.190872D+02 -0.357245D+01  0.182561D+02 -0.209007D+02 -0.118228D+02
               106           107           108           109           110 
      1  -0.142686D+02  0.846323D+01  0.107039D+02  0.226637D+01  0.555991D+01
      2   0.225868D+02 -0.193602D+02 -0.148945D+02 -0.123057D+01 -0.539343D+01
      3  -0.831822D+01  0.108970D+02  0.419062D+01 -0.103581D+01 -0.166484D+00
      4   0.170286D+01  0.253219D+02 -0.116556D+01 -0.833939D+01  0.149979D+01
      5  -0.292791D+00  0.415573D+01  0.132694D+01 -0.292252D+01 -0.313605D+01
      6  -0.414005D+01 -0.174508D+02 -0.126390D+01 -0.700310D+01 -0.876477D+01
               111           112           113           114           115 
      1   0.120390D+01  0.544772D+01 -0.112362D+02 -0.492043D+01  0.231774D+01
      2  -0.114373D+02 -0.192304D+01  0.135381D+02  0.776134D+01 -0.102375D+02
      3   0.102334D+02 -0.352468D+01 -0.230189D+01 -0.284091D+01  0.791972D+01
      4  -0.286668D+01 -0.265950D+01 -0.168737D+02 -0.125526D+02 -0.298114D+01
      5  -0.387228D+01 -0.194809D+01 -0.185001D+01 -0.282076D+01 -0.258734D+01
      6  -0.721608D-01 -0.949006D+01  0.123976D+02  0.575201D+01  0.145767D+01
               116           117           118           119           120 
      1  -0.209678D+01  0.131882D+01  0.322677D+02 -0.228529D+01  0.105864D+02
      2   0.163274D+01  0.708327D+01 -0.182708D+02  0.510223D+01 -0.740105D+01
      3   0.464039D+00 -0.840208D+01 -0.139968D+02 -0.281694D+01 -0.318538D+01
      4  -0.645334D+01  0.839134D+00  0.165825D+02  0.746255D+01  0.329895D+01
      5  -0.190309D+01  0.559083D+01  0.107184D+02 -0.177111D+01  0.955949D+01
      6   0.289878D+01 -0.517737D+01  0.513952D+01 -0.689440D+00  0.543228D+01
               121           122           123           124           125 
      1  -0.850802D+01  0.632381D+01 -0.427303D+01  0.174737D+02 -0.307920D+01
      2   0.751800D+01 -0.573292D+01  0.267067D+01 -0.129027D+02  0.465516D+01
      3   0.990020D+00 -0.590890D+00  0.160236D+01 -0.457103D+01 -0.157596D+01
      4   0.377453D+01 -0.282581D+00  0.182849D+00  0.762682D+01  0.219857D+01
      5  -0.334973D+01  0.252447D+01 -0.227696D+01  0.136972D+02  0.135463D+00
      6  -0.168464D+01  0.620016D+00  0.331094D+00  0.796283D+01  0.201326D+01
               126           127           128           129           130 
      1   0.953561D+01  0.146986D+02  0.703838D+01 -0.384794D+01  0.230555D+01
      2  -0.797433D+01  0.148615D+00  0.474098D+01 -0.962042D+00  0.111684D+02
      3  -0.156129D+01 -0.148472D+02 -0.117794D+02  0.480998D+01 -0.134740D+02
      4   0.582042D+01  0.297148D+02  0.241930D+02 -0.128953D+02  0.265555D+02
      5   0.125562D+02 -0.115584D+02 -0.960420D+01  0.102011D+02 -0.907699D+01
      6   0.791366D+01 -0.113249D+02 -0.972956D+01  0.847395D+01 -0.122496D+02
               131           132           133           134           135 
      1  -0.631387D+01  0.135531D+01 -0.244895D+01  0.151069D+01  0.378818D-01
      2   0.242022D+02 -0.756970D+01 -0.359480D+01 -0.847480D+01  0.247324D+01
      3  -0.178883D+02  0.621439D+01  0.604375D+01  0.696411D+01 -0.251112D+01
      4   0.334398D+02 -0.149635D+02 -0.203393D+02 -0.209046D+02  0.175693D+02
      5  -0.116313D+02  0.803640D+01  0.152823D+02  0.126255D+02 -0.149078D+02
      6  -0.173607D+02  0.127806D+02  0.149965D+02  0.172668D+02 -0.175784D+02
               136           137           138           139           140 
      1  -0.546811D+01  0.864386D+01 -0.377663D+01  0.500091D+01 -0.162549D+02
      2   0.836844D+01 -0.156109D+02  0.656107D+01 -0.829103D+01  0.269870D+02
      3  -0.290033D+01  0.696705D+01 -0.278444D+01  0.329012D+01 -0.107321D+02
      4  -0.147439D+02  0.857170D+01 -0.610568D+01  0.645048D+01 -0.479630D+01
      5   0.152260D+01 -0.367285D+00  0.146456D+01 -0.396319D+00  0.966739D+00
      6  -0.759078D+01  0.684118D+01 -0.756131D+01  0.458258D+01 -0.720959D+01
               141           142           143           144           145 
      1   0.462391D+01 -0.674736D+01  0.983142D+01 -0.884740D+01 -0.202548D+01
      2  -0.632667D+01  0.740883D+01 -0.139127D+02  0.977822D+01  0.853961D+01
      3   0.170276D+01 -0.661470D+00  0.408123D+01 -0.930820D+00 -0.651413D+01
      4   0.386017D+01 -0.872353D+01  0.613835D+01 -0.510070D+01  0.122084D+02
      5   0.425482D+00  0.178181D+01  0.536812D+00 -0.246075D+00  0.335284D+01
      6   0.837413D+01 -0.724185D+01  0.143845D+02 -0.154592D+02  0.568377D+01
               146           147           148           149           150 
      1  -0.261269D+01 -0.183624D+01 -0.416539D+01 -0.336649D+02 -0.116239D+02
      2   0.115923D+02  0.481319D+01  0.114148D+02  0.623461D+02  0.191929D+02
      3  -0.897962D+01 -0.297695D+01 -0.724938D+01 -0.286812D+02 -0.756897D+01
      4   0.196024D+02  0.668230D+01  0.134960D+02  0.267838D+02  0.969062D+01
      5   0.541964D+01  0.461577D+01  0.312092D+01  0.915156D+01  0.509604D+01
      6   0.810636D+01  0.461875D+01  0.730797D+01  0.272089D+02  0.170983D+02
               151           152           153           154           155 
      1  -0.330523D+01 -0.180823D+02 -0.126626D+02 -0.555007D+01 -0.869713D+01
      2   0.636465D+01  0.275626D+02  0.158150D+02  0.844249D+01  0.156698D+02
      3  -0.305942D+01 -0.948031D+01 -0.315235D+01 -0.289242D+01 -0.697269D+01
      4   0.704892D+01  0.160161D+02  0.918734D+01  0.146273D+02  0.855902D+01
      5   0.447465D+01  0.828726D+01  0.701915D+01 -0.147530D+01 -0.340675D+00
      6   0.610057D+01  0.265517D+02  0.199667D+02 -0.752703D+01 -0.684102D+01
               156           157           158           159           160 
      1   0.380148D+01 -0.503424D+01 -0.164228D+02  0.467374D+01  0.677585D+01
      2  -0.659273D+01  0.831161D+01  0.272655D+02 -0.640765D+01 -0.744012D+01
      3   0.279124D+01 -0.327737D+01 -0.108427D+02  0.173392D+01  0.664266D+00
      4  -0.603128D+01  0.646753D+01  0.471730D+01 -0.384198D+01 -0.862530D+01
      5   0.143150D+01 -0.376239D+00 -0.935555D+00 -0.461198D+00  0.174872D+01
      6   0.750692D+01 -0.458504D+01 -0.727058D+01  0.842086D+01  0.716223D+01
               161           162           163           164           165 
      1   0.992654D+01 -0.887617D+01 -0.195224D+01  0.259065D+01  0.183968D+01
      2  -0.140495D+02  0.984669D+01  0.851995D+01 -0.116446D+02 -0.485618D+01
      3   0.412296D+01 -0.970520D+00 -0.656771D+01  0.905396D+01  0.301650D+01
      4  -0.608502D+01  0.500299D+01 -0.124040D+02  0.197210D+02  0.678444D+01
      5  -0.593120D+00  0.307811D+00 -0.343552D+01  0.550296D+01  0.468380D+01
      6   0.144216D+02 -0.154060D+02  0.576693D+01 -0.821560D+01 -0.471426D+01
               166           167           168           169           170 
      1   0.417460D+01 -0.333077D+02 -0.115469D+02  0.332957D+01 -0.179615D+02
      2  -0.114859D+02  0.617778D+02  0.190876D+02 -0.642770D+01  0.274062D+02
      3   0.731132D+01 -0.284701D+02 -0.754072D+01  0.309813D+01 -0.944472D+01
      4   0.136001D+02 -0.269592D+02 -0.980674D+01  0.718398D+01 -0.162085D+02
      5   0.318717D+01 -0.924167D+01 -0.516273D+01  0.455727D+01 -0.840895D+01
      6  -0.740644D+01  0.271413D+02  0.171017D+02 -0.623212D+01  0.265613D+02
               171           172           173           174           175 
      1  -0.126231D+02  0.323611D+02  0.237344D+01 -0.105797D+02  0.861880D+01
      2   0.157478D+02 -0.183668D+02 -0.512453D+01  0.741363D+01 -0.756132D+01
      3  -0.312476D+01 -0.139943D+02  0.275109D+01  0.316604D+01 -0.105748D+01
      4  -0.934559D+01 -0.163945D+02  0.741731D+01  0.320621D+01  0.375707D+01
      5  -0.714415D+01 -0.106963D+02 -0.182378D+01  0.955328D+01 -0.339423D+01
      6   0.200489D+02  0.507318D+01  0.708216D+00 -0.538154D+01  0.169994D+01
               176           177           178           179           180 
      1   0.638924D+01 -0.431640D+01 -0.174921D+02 -0.314901D+01  0.956227D+01
      2  -0.580838D+01  0.269384D+01  0.129362D+02  0.469575D+01 -0.800982D+01
      3  -0.580859D+00  0.162256D+01  0.455589D+01 -0.154675D+01 -0.155244D+01
      4   0.399334D+00 -0.189105D+00  0.747137D+01 -0.218235D+01 -0.571877D+01
      5  -0.254904D+01  0.232196D+01  0.136973D+02 -0.649781D-01 -0.125460D+02
      6   0.608668D+00  0.305140D+00 -0.789131D+01  0.196961D+01  0.783467D+01
               181           182           183           184           185 
      1   0.149582D+02 -0.713562D+01  0.393154D+01 -0.242061D+01 -0.610544D+01
      2   0.707760D-02 -0.468015D+01  0.907433D+00 -0.110920D+02  0.239494D+02
      3  -0.149653D+02  0.118158D+02 -0.483897D+01  0.135126D+02 -0.178440D+02
      4  -0.298716D+02  0.242345D+02 -0.129416D+02  0.266369D+02 -0.334203D+02
      5   0.116559D+02 -0.964169D+01  0.102457D+02 -0.912322D+01  0.116202D+02
      6  -0.113593D+02  0.972039D+01 -0.847288D+01  0.122376D+02 -0.172326D+02
               186           187           188           189           190 
      1   0.125208D+01  0.258409D+01  0.135709D+01  0.162588D+00  0.206757D+02
      2  -0.745571D+01  0.348817D+01 -0.830627D+01  0.235866D+01 -0.169492D+02
      3   0.620363D+01 -0.607226D+01  0.694918D+01 -0.252125D+01 -0.372643D+01
      4   0.149458D+02 -0.204055D+02  0.208582D+02 -0.175578D+02  0.141395D+01
      5  -0.803934D+01  0.153573D+02 -0.126195D+02  0.149413D+02  0.160041D+02
      6   0.127112D+02 -0.149823D+02  0.171540D+02 -0.174920D+02  0.771803D+00
               191           192           193           194           195 
      1   0.536981D+01  0.802463D+01  0.816748D+01  0.561296D+01  0.396243D+01
      2  -0.708142D+01 -0.972351D+01 -0.910017D+01 -0.623482D+01 -0.645301D+01
      3   0.171162D+01  0.169888D+01  0.932688D+00  0.621860D+00  0.249058D+01
      4   0.659285D+01  0.161232D+01  0.147542D+01  0.755652D+01  0.697283D+00
      5   0.444729D+01  0.108760D+02  0.110364D+02  0.302908D+01  0.773526D+01
      6   0.127640D+01 -0.623079D+00  0.110971D+01  0.263711D+01  0.556851D+00
               196           197           198           199           200 
      1   0.340062D+01  0.132734D+01  0.206087D+01 -0.249276D+01 -0.240875D+01
      2  -0.687073D+01 -0.218825D+01 -0.812300D+01 -0.171520D+01  0.135897D+01
      3   0.347012D+01  0.860901D+00  0.606214D+01  0.420796D+01  0.104978D+01
      4   0.292828D+01  0.424543D+00  0.211058D+01  0.619448D+01 -0.281317D+01
      5   0.808136D+01  0.369627D+01  0.893575D+01 -0.240140D+01  0.209435D+01
      6   0.390752D+00  0.145614D+01 -0.698763D+00 -0.895852D-01 -0.325675D+01
               201           202           203           204           205 
      1   0.730688D+01 -0.471107D+00 -0.517262D+01  0.638574D+01  0.252747D+01
      2   0.119437D+01 -0.461440D+00  0.203172D+01 -0.937939D+00 -0.145273D+01
      3  -0.850125D+01  0.932547D+00  0.314090D+01 -0.544780D+01 -0.107474D+01
      4   0.275076D+00  0.146252D+01 -0.179586D+01  0.528639D+00 -0.318599D+01
      5  -0.195304D+00  0.327380D+00  0.108117D+01 -0.189308D+01  0.440869D+01
      6   0.594366D+01 -0.425612D+00 -0.604741D+01  0.895298D+01 -0.443871D+00
               206           207           208           209           210 
      1   0.562774D+01 -0.184658D+02 -0.156472D+00 -0.763473D+01 -0.453448D+01
      2  -0.927120D-01 -0.115511D+02 -0.277042D+00  0.963107D+01  0.194696D+01
      3  -0.553503D+01  0.300169D+02  0.433514D+00 -0.199633D+01  0.258752D+01
      4   0.315167D+01  0.553010D+00  0.177591D+02  0.786552D+01  0.847466D+01
      5  -0.230697D+01  0.114276D+02  0.918868D+01  0.578229D+01  0.577442D+01
      6   0.743327D+01 -0.176616D+02  0.964660D+01  0.111596D+02  0.102451D+02
               211           212           213           214           215 
      1  -0.219074D+01 -0.315937D+01 -0.186371D+01 -0.167536D+01 -0.144909D+01
      2   0.299808D+01  0.693008D+01  0.155016D+01 -0.725187D+00 -0.130210D+01
      3  -0.807335D+00 -0.377070D+01  0.313558D+00  0.240055D+01  0.275119D+01
      4   0.805102D+01  0.769128D+01  0.502278D+01  0.441119D+01  0.405707D+01
      5   0.294706D+01  0.326720D+01  0.227984D+01  0.470339D+01  0.224927D+01
      6   0.558288D+01  0.519828D+01  0.546796D+01  0.557894D+01  0.500921D+01
               216           217           218           219           220 
      1  -0.405056D+01 -0.579165D+00  0.329944D+01  0.244726D+01  0.282599D+00
      2  -0.194796D+01 -0.366169D+01 -0.411168D+01  0.637164D+01 -0.131310D+01
      3   0.599852D+01  0.424085D+01  0.812240D+00 -0.881891D+01  0.103051D+01
      4   0.552471D+01 -0.356868D+01  0.442904D+01  0.450933D+01  0.548803D+00
      5   0.369236D+01 -0.492024D+01  0.187700D+01  0.856456D+01  0.276581D+00
      6   0.846832D+01  0.444669D+01 -0.308808D+01 -0.716289D+01 -0.106094D+00
               221           222           223           224           225 
      1   0.277393D+01  0.161786D+01  0.182422D+01 -0.491580D+01 -0.120503D+02
      2  -0.590376D+01  0.247587D+01  0.359431D+01  0.295729D+01 -0.164759D+02
      3   0.312983D+01 -0.409373D+01 -0.541852D+01  0.195851D+01  0.285262D+02
      4   0.210152D+01  0.691372D+00  0.365020D+01 -0.201577D+01 -0.287119D+01
      5  -0.138854D+01  0.970151D+00  0.565763D+01 -0.120872D+01 -0.996131D+01
      6  -0.192660D+01  0.730779D+00 -0.326155D+01  0.645419D+01  0.189700D+02
               226           227           228           229           230 
      1  -0.857666D+00 -0.513342D+00 -0.130630D+01 -0.579129D+01 -0.117650D+02
      2   0.435354D+01 -0.231592D+01  0.170890D+01  0.147076D+01  0.213351D+02
      3  -0.349587D+01  0.282926D+01 -0.402599D+00  0.432053D+01 -0.957006D+01
      4  -0.326397D+01  0.542656D+01  0.166649D+00  0.858861D+01 -0.213714D+02
      5  -0.147886D+01 -0.354394D+00  0.538215D-01 -0.489700D+01  0.278913D+01
      6   0.210705D+00  0.508028D+00 -0.166795D+00  0.385145D+01 -0.123554D+02
               231           232           233           234           235 
      1   0.165018D+01 -0.532875D+01  0.208619D+01 -0.420202D+01 -0.257762D+01
      2  -0.251201D+00  0.354341D+01  0.103597D+01  0.227072D+01 -0.244821D+00
      3  -0.139898D+01  0.178534D+01 -0.312216D+01  0.193130D+01  0.282245D+01
      4   0.441765D+01  0.174181D+01 -0.223675D+01 -0.202047D+01  0.919223D+00
      5  -0.465678D+01 -0.119700D+01 -0.188270D+01  0.138590D+00  0.219589D+00
      6   0.550839D+01  0.155018D-01  0.277984D+01 -0.201164D+01  0.123166D+01
               236           237           238           239           240 
      1   0.867676D+00  0.371643D+01  0.361967D+01 -0.351961D+01  0.998533D+00
      2  -0.171054D+01  0.100594D+01 -0.375428D+01  0.725220D+00 -0.329999D+01
      3   0.842859D+00 -0.472237D+01  0.134608D+00  0.279439D+01  0.230145D+01
      4  -0.504838D+00  0.141466D+00  0.848808D+00 -0.930826D+00  0.237340D+01
      5   0.118920D+01  0.189810D+01  0.176899D+01  0.157537D+01  0.175960D+01
      6  -0.809618D+00  0.186054D+01  0.118012D+00 -0.200086D+01  0.468060D+01
               241           242           243           244           245 
      1   0.400827D+01  0.400624D+01 -0.210287D+02 -0.898237D-01  0.759541D+01
      2  -0.605213D+01  0.831130D+00 -0.163314D+02 -0.344155D+00 -0.960888D+01
      3   0.204386D+01 -0.483737D+01  0.373602D+02  0.433978D+00  0.201347D+01
      4  -0.149242D+01  0.344395D+01 -0.267877D+01 -0.178210D+02  0.789798D+01
      5   0.681845D+01 -0.401063D+01  0.220217D+02 -0.924904D+01  0.580599D+01
      6  -0.147781D+01  0.542875D+01 -0.102461D+02  0.969153D+01 -0.111345D+02
               246           247           248           249           250 
      1   0.449354D+01  0.215053D+01 -0.307524D+01 -0.181830D+01  0.166281D+01
      2  -0.190027D+01 -0.297300D+01  0.682974D+01  0.150842D+01  0.752065D+00
      3  -0.259327D+01  0.822468D+00 -0.375450D+01  0.309878D+00 -0.241487D+01
      4   0.853090D+01  0.803037D+01 -0.767795D+01 -0.501067D+01  0.444014D+01
      5   0.582825D+01  0.294569D+01 -0.325625D+01 -0.227663D+01  0.473583D+01
      6  -0.102599D+02 -0.556214D+01  0.513057D+01  0.543566D+01 -0.558971D+01
               251           252           253           254           255 
      1  -0.142461D+01 -0.402568D+01 -0.591595D+00 -0.335057D+01 -0.248996D+01
      2  -0.132735D+01 -0.198005D+01 -0.365965D+01  0.415277D+01 -0.635711D+01
      3   0.275196D+01  0.600573D+01  0.425125D+01 -0.802192D+00  0.884706D+01
      4  -0.404724D+01 -0.553771D+01  0.357976D+01  0.443555D+01  0.454437D+01
      5  -0.225265D+01 -0.372659D+01  0.491669D+01  0.188961D+01  0.856443D+01
      6   0.500101D+01  0.848004D+01  0.447099D+01  0.312879D+01  0.722589D+01
               256           257           258           259           260 
      1  -0.302962D+00  0.277511D+01  0.159952D+01 -0.183593D+01 -0.494985D+01
      2   0.132944D+01 -0.589057D+01  0.243541D+01 -0.359226D+01  0.294939D+01
      3  -0.102648D+01  0.311546D+01 -0.403493D+01  0.542819D+01  0.200045D+01
      4   0.571880D+00 -0.203989D+01 -0.672955D+00  0.366413D+01  0.200973D+01
      5   0.290201D+00  0.140599D+01 -0.937048D+00  0.565262D+01  0.121865D+01
      6   0.135369D+00 -0.188781D+01  0.770001D+00  0.327976D+01  0.649631D+01
               261           262           263           264           265 
      1  -0.120698D+02  0.208117D+02 -0.539690D+01 -0.803755D+01 -0.816883D+01
      2  -0.164231D+02 -0.170268D+02  0.709970D+01  0.971405D+01  0.907482D+01
      3   0.284929D+02 -0.378484D+01 -0.170281D+01 -0.167650D+01 -0.905982D+00
      4   0.291595D+01 -0.134362D+01  0.659682D+01  0.155416D+01  0.145828D+01
      5   0.991970D+01 -0.160212D+02  0.440277D+01  0.108443D+02  0.109788D+02
      6   0.190467D+02  0.738351D+00 -0.127345D+01  0.650668D+00 -0.108668D+01
               266           267           268           269           270 
      1   0.563646D+01  0.393928D+01 -0.340026D+01  0.131453D+01  0.207367D+01
      2  -0.621563D+01 -0.639220D+01  0.684569D+01 -0.214641D+01 -0.807742D+01
      3   0.579168D+00  0.245292D+01 -0.344543D+01  0.831880D+00  0.600375D+01
      4  -0.750984D+01 -0.646160D+00  0.290729D+01 -0.384567D+00 -0.207780D+01
      5  -0.296873D+01 -0.766359D+01  0.804057D+01 -0.366498D+01 -0.885753D+01
      6   0.261632D+01  0.523817D+00 -0.375493D+00  0.143276D+01 -0.713451D+00
               271           272           273           274           275 
      1  -0.244486D+01  0.240389D+01 -0.730056D+01  0.453089D+00 -0.513920D+01
      2  -0.176460D+01 -0.138395D+01 -0.119656D+01  0.458814D+00  0.200959D+01
      3   0.420946D+01 -0.101994D+01  0.849713D+01 -0.911903D+00  0.312961D+01
      4  -0.618030D+01 -0.282493D+01  0.262057D+00  0.142811D+01  0.176488D+01
      5   0.238022D+01  0.209907D+01 -0.180988D+00  0.343845D+00 -0.105809D+01
      6  -0.778544D-01  0.325332D+01 -0.593186D+01  0.431784D+00 -0.599627D+01
               276           277           278           279           280 
      1   0.632283D+01 -0.250791D+01  0.560214D+01 -0.184619D+02  0.661034D+01
      2  -0.938878D+00  0.144868D+01 -0.107603D+00 -0.116329D+02 -0.341246D+01
      3  -0.538395D+01  0.105923D+01 -0.549454D+01  0.300947D+02 -0.319788D+01
      4  -0.515475D+00 -0.319851D+01 -0.316795D+01 -0.567558D+00  0.463016D+01
      5   0.186056D+01  0.442285D+01  0.230513D+01 -0.114537D+02  0.809602D+01
      6   0.889608D+01  0.463766D+00  0.741013D+01 -0.176670D+02  0.216671D+01
               281           282           283           284           285 
      1   0.363671D+01  0.681985D+01  0.763861D+01 -0.539403D+00 -0.194125D+01
      2  -0.134262D+01 -0.373902D+01 -0.392230D+01  0.361222D+01 -0.286673D+00
      3  -0.229409D+01 -0.308083D+01 -0.371632D+01 -0.307281D+01  0.222792D+01
      4   0.524320D+01  0.188473D+01  0.118206D+02  0.246747D+02  0.126977D+02
      5   0.248240D+01  0.510128D+01  0.643461D+01  0.135079D+02  0.146481D+02
      6   0.754018D+00  0.727003D+00  0.439217D+01  0.120419D+02  0.835523D+01
               286           287           288           289           290 
      1   0.802422D+01 -0.185690D+01 -0.725771D+00  0.678640D+02 -0.170911D+02
      2  -0.611395D+01 -0.107636D+01 -0.388718D+01 -0.374840D+02  0.842782D+01
      3  -0.191027D+01  0.293326D+01  0.461295D+01 -0.303799D+02  0.866330D+01
      4   0.359303D+01  0.884698D+01  0.892639D+01 -0.219544D+02  0.132549D+02
      5   0.880579D+01  0.937723D+01  0.136361D+02  0.283063D+02 -0.755329D+01
      6   0.231230D+01  0.751833D+01  0.693587D+01 -0.481646D+01  0.302228D+01
               291           292           293           294           295 
      1   0.178739D+02 -0.272490D+02  0.134060D+02 -0.754049D+01  0.156545D+02
      2  -0.113596D+02  0.137274D+02 -0.570908D+01  0.495630D+01 -0.122176D+02
      3  -0.651435D+01  0.135216D+02 -0.769689D+01  0.258419D+01 -0.343687D+01
      4  -0.647801D+01  0.209782D+02 -0.136287D+02  0.910698D+01 -0.607809D+01
      5   0.172180D+02 -0.129254D+02  0.100805D+02 -0.770486D+01  0.217406D+02
      6  -0.194655D+01  0.570773D+01 -0.347049D+01  0.431976D+01 -0.327107D+01
               296           297           298           299           300 
      1  -0.395234D+01  0.121487D+02  0.676029D+02  0.172380D+02 -0.177451D+02
      2   0.356473D+01 -0.989204D+01 -0.372266D+02 -0.845630D+01  0.112412D+02
      3   0.387616D+00 -0.225668D+01 -0.303763D+02 -0.878168D+01  0.650386D+01
      4   0.587914D+01 -0.576264D+01  0.222754D+02  0.134180D+02 -0.653426D+01
      5  -0.617925D+01  0.134030D+02 -0.281031D+02 -0.758505D+01  0.171088D+02
      6   0.376637D+01 -0.281560D+01 -0.487183D+01 -0.304857D+01  0.198400D+01
               301           302           303           304           305 
      1   0.273868D+02  0.135186D+02 -0.752750D+01 -0.155322D+02 -0.394805D+01
      2  -0.137171D+02 -0.569539D+01  0.491742D+01  0.120947D+02  0.354969D+01
      3  -0.136697D+02 -0.782324D+01  0.261007D+01  0.343752D+01  0.398362D+00
      4   0.212198D+02  0.138700D+02 -0.916226D+01 -0.613834D+01 -0.591668D+01
      5  -0.129394D+02 -0.101233D+02  0.773333D+01  0.216310D+02  0.623226D+01
      6  -0.574860D+01 -0.353249D+01  0.433977D+01  0.332999D+01  0.379289D+01
               306           307           308           309           310 
      1   0.120772D+02  0.677463D+01 -0.366599D+01 -0.683694D+01 -0.773542D+01
      2  -0.980102D+01 -0.350753D+01  0.136533D+01  0.376161D+01  0.399213D+01
      3  -0.227622D+01 -0.326711D+01  0.230066D+01  0.307533D+01  0.374329D+01
      4   0.583710D+01 -0.469228D+01  0.534280D+01  0.191561D+01  0.119241D+02
      5  -0.132985D+02 -0.816502D+01  0.252801D+01  0.517457D+01  0.651031D+01
      6  -0.285355D+01  0.216072D+01 -0.796486D+00 -0.751952D+00 -0.442579D+01
               311           312           313           314           315 
      1  -0.315165D+00 -0.181646D+01 -0.805724D+01 -0.178272D+01 -0.627135D+00
      2   0.342049D+01 -0.381907D+00  0.614955D+01 -0.113231D+01 -0.395228D+01
      3  -0.310532D+01  0.219837D+01  0.190769D+01  0.291503D+01  0.457941D+01
      4  -0.246679D+02 -0.127047D+02  0.359847D+01 -0.884734D+01 -0.892640D+01
      5  -0.135313D+02 -0.146725D+02  0.886758D+01 -0.938458D+01 -0.136639D+02
      6   0.119496D+02  0.828003D+01 -0.232591D+01  0.746663D+01  0.687363D+01
               316           317           318           319           320 
      1  -0.253622D+01 -0.872626D+00 -0.370070D+01 -0.363683D+01 -0.353174D+01
      2  -0.279456D+00  0.170211D+01 -0.984584D+00  0.377520D+01  0.742680D+00
      3   0.281568D+01 -0.829480D+00  0.468529D+01 -0.138377D+00  0.278906D+01
      4  -0.929150D+00 -0.520578D+00  0.141201D+00  0.814595D+00  0.901263D+00
      5  -0.246133D+00  0.118955D+01  0.192846D+01  0.179012D+01 -0.155851D+01
      6   0.123858D+01  0.814255D+00 -0.185359D+01 -0.102139D+00 -0.197707D+01
               321           322           323           324           325 
      1   0.962663D+00 -0.399684D+01  0.397067D+01 -0.210170D+02 -0.924305D+00
      2  -0.333940D+01  0.605585D+01  0.817093D+00 -0.163559D+02  0.438321D+01
      3   0.237674D+01 -0.205901D+01 -0.478776D+01  0.373729D+02 -0.345891D+01
      4  -0.236049D+01 -0.151295D+01 -0.343845D+01  0.264170D+01  0.318149D+01
      5  -0.181492D+01  0.682707D+01  0.399270D+01 -0.220506D+02  0.149705D+01
      6   0.465293D+01  0.148588D+01  0.542297D+01 -0.102525D+02  0.228699D+00
               326           327           328           329           330 
      1   0.518654D+00  0.129785D+01  0.578216D+01 -0.119184D+02  0.171013D+01
      2   0.227763D+01 -0.170785D+01 -0.148395D+01  0.214730D+02 -0.317818D+00
      3  -0.279629D+01  0.410003D+00 -0.429822D+01 -0.955459D+01 -0.139232D+01
      4   0.533539D+01  0.189869D+00  0.854912D+01  0.213190D+02 -0.444553D+01
      5  -0.342413D+00  0.415154D-01 -0.488364D+01 -0.280460D+01  0.465065D+01
      6  -0.459943D+00  0.144178D+00 -0.383588D+01 -0.124380D+02  0.555617D+01
               331           332           333 
      1   0.530485D+01  0.210846D+01 -0.422200D+01
      2  -0.353363D+01  0.100996D+01  0.227519D+01
      3  -0.177122D+01 -0.311842D+01  0.194681D+01
      4   0.175738D+01  0.221077D+01  0.200159D+01
      5  -0.118846D+01  0.187169D+01 -0.156190D+00
      6  -0.277037D-01  0.280626D+01 -0.203108D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 21:37:27 2021, MaxMem= 10737418240 cpu:          119375.3 elap:            7469.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.80811 -14.80809 -14.80806 -14.80805 -14.80800
 Alpha  occ. eigenvalues --  -14.80796 -10.63076 -10.63076 -10.63052 -10.63051
 Alpha  occ. eigenvalues --  -10.63028 -10.63006  -3.67176  -2.44563  -2.44556
 Alpha  occ. eigenvalues --   -2.44129  -1.37301  -1.36205  -1.36183  -1.33726
 Alpha  occ. eigenvalues --   -1.33708  -1.33641  -1.15740  -1.15541  -1.15535
 Alpha  occ. eigenvalues --   -1.04000  -1.03530  -1.03455  -0.96773  -0.96660
 Alpha  occ. eigenvalues --   -0.95907  -0.94729  -0.94688  -0.94581  -0.93554
 Alpha  occ. eigenvalues --   -0.93406  -0.92843  -0.87175  -0.87144  -0.86435
 Alpha  occ. eigenvalues --   -0.86285  -0.85953  -0.85730  -0.83901  -0.82884
 Alpha  occ. eigenvalues --   -0.82825  -0.79174  -0.79039  -0.77963  -0.77791
 Alpha  occ. eigenvalues --   -0.77623  -0.76723  -0.75037  -0.74196  -0.74138
 Alpha  occ. eigenvalues --   -0.71032  -0.71023  -0.70760
 Alpha virt. eigenvalues --   -0.47658  -0.47616  -0.40984  -0.39011  -0.38052
 Alpha virt. eigenvalues --   -0.37939  -0.35268  -0.35041  -0.34572  -0.33159
 Alpha virt. eigenvalues --   -0.32429  -0.31861  -0.31667  -0.30996  -0.29623
 Alpha virt. eigenvalues --   -0.29259  -0.28929  -0.28809  -0.27830  -0.27661
 Alpha virt. eigenvalues --   -0.27286  -0.26402  -0.26239  -0.25798  -0.25303
 Alpha virt. eigenvalues --   -0.25051  -0.24848  -0.24066  -0.23759  -0.23585
 Alpha virt. eigenvalues --   -0.22731  -0.22327  -0.22169  -0.21903  -0.21741
 Alpha virt. eigenvalues --   -0.21507  -0.21065  -0.20711  -0.20511  -0.20454
 Alpha virt. eigenvalues --   -0.19912  -0.19615  -0.19284  -0.19271  -0.19100
 Alpha virt. eigenvalues --   -0.18315  -0.18286  -0.18039  -0.17933  -0.17616
 Alpha virt. eigenvalues --   -0.17325  -0.16958  -0.16596  -0.16509  -0.16380
 Alpha virt. eigenvalues --   -0.15881  -0.15523  -0.15339  -0.15289  -0.14841
 Alpha virt. eigenvalues --   -0.14677  -0.14419  -0.14085  -0.13974  -0.13507
 Alpha virt. eigenvalues --   -0.13400  -0.13272  -0.12975  -0.12689  -0.12435
 Alpha virt. eigenvalues --   -0.12392  -0.12171  -0.12125  -0.12003  -0.11735
 Alpha virt. eigenvalues --   -0.10952  -0.10732  -0.10549  -0.10320  -0.10185
 Alpha virt. eigenvalues --   -0.09836  -0.09812  -0.09671  -0.09032  -0.09026
 Alpha virt. eigenvalues --   -0.08858  -0.08265  -0.08145  -0.07862  -0.07654
 Alpha virt. eigenvalues --   -0.07291  -0.06841  -0.06774  -0.06306  -0.05443
 Alpha virt. eigenvalues --   -0.05354  -0.05022  -0.04844  -0.04670  -0.03967
 Alpha virt. eigenvalues --   -0.03893  -0.03746  -0.03203  -0.02496  -0.02351
 Alpha virt. eigenvalues --   -0.02097  -0.01816  -0.01037  -0.00228   0.00006
 Alpha virt. eigenvalues --    0.00306   0.00804   0.00818   0.01309   0.01634
 Alpha virt. eigenvalues --    0.02050   0.02066   0.02606   0.02634   0.03377
 Alpha virt. eigenvalues --    0.03493   0.03782   0.04081   0.04351   0.04561
 Alpha virt. eigenvalues --    0.04757   0.05006   0.05107   0.05682   0.06168
 Alpha virt. eigenvalues --    0.06809   0.06864   0.06987   0.07307   0.07936
 Alpha virt. eigenvalues --    0.08956   0.09172   0.09190   0.09754   0.10052
 Alpha virt. eigenvalues --    0.10372   0.11093   0.11244   0.11787   0.12171
 Alpha virt. eigenvalues --    0.12541   0.12580   0.13038   0.13292   0.13377
 Alpha virt. eigenvalues --    0.13830   0.13970   0.14137   0.14649   0.14782
 Alpha virt. eigenvalues --    0.15142   0.15341   0.16000   0.16700   0.16746
 Alpha virt. eigenvalues --    0.18159   0.18174   0.18658   0.18680   0.18878
 Alpha virt. eigenvalues --    0.19683   0.19776   0.21166   0.21748   0.21825
 Alpha virt. eigenvalues --    0.23243   0.23564   0.23769   0.24055   0.24741
 Alpha virt. eigenvalues --    0.25307   0.25581   0.25786   0.26208   0.26258
 Alpha virt. eigenvalues --    0.26727   0.27369   0.27695   0.27975   0.28187
 Alpha virt. eigenvalues --    0.28638   0.28973   0.29014   0.29270   0.29386
 Alpha virt. eigenvalues --    0.30285   0.30777   0.31009   0.31428   0.31445
 Alpha virt. eigenvalues --    0.31948   0.32587   0.33215   0.33413   0.33904
 Alpha virt. eigenvalues --    0.34273   0.34752   0.35308   0.35879   0.36267
 Alpha virt. eigenvalues --    0.36913   0.37713   0.37985   0.38036   0.38228
 Alpha virt. eigenvalues --    0.38312   0.38856   0.39456   0.39954   0.40863
 Alpha virt. eigenvalues --    0.40938   0.42348   0.42665   0.42689   0.43796
 Alpha virt. eigenvalues --    0.45000   0.45036   0.45840   0.46095   0.46298
 Alpha virt. eigenvalues --    0.46560   0.46780   0.48402   0.48482   0.48688
 Alpha virt. eigenvalues --    0.49183   0.49423   0.49969   0.50564   0.50812
 Alpha virt. eigenvalues --    0.52245   0.52781   0.52841   0.53396   0.54167
 Alpha virt. eigenvalues --    0.54584   0.54736   0.55630   0.56241   0.56960
 Alpha virt. eigenvalues --    0.58259   0.58951   0.59214   0.60057   0.60340
 Alpha virt. eigenvalues --    0.60993   0.61062   0.63868   0.64142   0.65198
 Alpha virt. eigenvalues --    0.65449   0.65628   0.66115   0.67408   0.68050
 Alpha virt. eigenvalues --    0.68783   0.69462   0.70340   0.70453   0.71101
 Alpha virt. eigenvalues --    0.71617   0.73200   0.73405   0.74469   0.76761
 Alpha virt. eigenvalues --    0.76906   0.78637   0.79730   0.80092   0.81100
 Alpha virt. eigenvalues --    0.82162   0.82756   0.83853   0.84038   0.85388
 Alpha virt. eigenvalues --    0.86309   0.87672   0.87918   0.90176   0.90954
 Alpha virt. eigenvalues --    0.91621   0.92859   0.94602   0.95847   0.95956
 Alpha virt. eigenvalues --    0.96470   1.00050   1.00301   1.01962   1.04282
 Alpha virt. eigenvalues --    1.06278   1.07744   1.08260   1.09219   1.09457
 Alpha virt. eigenvalues --    1.11247   1.11677   1.14049   1.16548   1.16940
 Alpha virt. eigenvalues --    1.17418   1.19311   1.19405   1.19804   1.21606
 Alpha virt. eigenvalues --    1.22125   1.23958   1.24106   1.25011   1.26097
 Alpha virt. eigenvalues --    1.26642   1.27585   1.27910   1.29002   1.30759
 Alpha virt. eigenvalues --    1.33486   1.33627   1.34214   1.35736   1.36224
 Alpha virt. eigenvalues --    1.36836   1.37554   1.37713   1.38815   1.39080
 Alpha virt. eigenvalues --    1.39363   1.40153   1.40787   1.41234   1.41456
 Alpha virt. eigenvalues --    1.42166   1.43769   1.44923   1.45168   1.46072
 Alpha virt. eigenvalues --    1.47364   1.47807   1.49363   1.49961   1.51169
 Alpha virt. eigenvalues --    1.52057   1.52786   1.53241   1.53604   1.53920
 Alpha virt. eigenvalues --    1.54268   1.55778   1.56497   1.57609   1.57735
 Alpha virt. eigenvalues --    1.58005   1.58864   1.59334   1.61425   1.61428
 Alpha virt. eigenvalues --    1.61635   1.62083   1.62918   1.65959   1.66197
 Alpha virt. eigenvalues --    1.66929   1.67179   1.68765   1.68865   1.70133
 Alpha virt. eigenvalues --    1.71799   1.72773   1.72938   1.73763   1.75246
 Alpha virt. eigenvalues --    1.76829   1.77595   1.77822   1.78560   1.79160
 Alpha virt. eigenvalues --    1.79508   1.80293   1.81325   1.82109   1.82738
 Alpha virt. eigenvalues --    1.83241   1.84981   1.86206   1.86925   1.87474
 Alpha virt. eigenvalues --    1.88116   1.89043   1.90783   1.90974   1.91940
 Alpha virt. eigenvalues --    1.94212   1.95071   1.96765   1.98072   1.98118
 Alpha virt. eigenvalues --    1.98746   1.98918   2.01841   2.02927   2.03263
 Alpha virt. eigenvalues --    2.03411   2.04621   2.06681   2.07397   2.08846
 Alpha virt. eigenvalues --    2.09344   2.11256   2.12122   2.14349   2.14417
 Alpha virt. eigenvalues --    2.14694   2.15082   2.16248   2.16566   2.18027
 Alpha virt. eigenvalues --    2.18153   2.18662   2.18923   2.19594   2.19662
 Alpha virt. eigenvalues --    2.22097   2.22311   2.22861   2.22921   2.24418
 Alpha virt. eigenvalues --    2.24573   2.25764   2.26658   2.26754   2.27287
 Alpha virt. eigenvalues --    2.27939   2.28484   2.29162   2.30796   2.31635
 Alpha virt. eigenvalues --    2.31888   2.32354   2.33129   2.33972   2.35000
 Alpha virt. eigenvalues --    2.36586   2.37221   2.39800   2.42553   2.42622
 Alpha virt. eigenvalues --    2.46286   2.46846   2.48074   2.48337   2.52159
 Alpha virt. eigenvalues --    2.54060   2.54112   2.56848   2.59946   2.61124
 Alpha virt. eigenvalues --    2.67287   2.67615   2.68949   2.69225   2.71722
 Alpha virt. eigenvalues --    2.72316   2.76436   2.80640   2.81267   2.81729
 Alpha virt. eigenvalues --    2.84790   2.87550   2.91579   2.92157   2.96233
 Alpha virt. eigenvalues --    2.97098   2.99350   2.99597   3.02829   3.05203
 Alpha virt. eigenvalues --    3.06322   3.13854   3.30733   3.32135   3.80464
 Alpha virt. eigenvalues --    5.77652   5.80593  45.03944
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.874509  -0.054387   0.322075  -2.028299   0.028383  -0.009729
     2  C   -0.054387   5.870182   1.179643  -2.029743   0.014488  -0.024732
     3  N    0.322075   1.179643  11.115942  -9.082328   0.503419   0.060979
     4  Rh  -2.028299  -2.029743  -9.082328  72.376714  -7.815031  -1.185483
     5  N    0.028383   0.014488   0.503419  -7.815031   9.984580   1.109534
     6  C   -0.009729  -0.024732   0.060979  -1.185483   1.109534   5.636385
     7  C   -0.011342   0.009367  -0.027666  -1.445452   0.052242  -0.122577
     8  N    0.212040   0.148881   0.427733  -7.592521   0.769965  -0.100044
     9  N    1.178387   0.321810   0.640969  -9.085128   0.659385   0.037772
    10  N    0.013687   0.029948   0.655309  -7.791973   0.912224   0.111798
    11  C   -0.025019  -0.009507   0.036270  -1.182250   0.109951   0.044934
    12  C    0.010195  -0.011974   0.280719  -1.443199   0.057940  -0.086940
    13  N    0.150514   0.213092   1.127406  -7.603562   0.356151   0.010473
    14  H   -0.012555   0.003658  -0.011407   0.126186  -0.067624  -0.553079
    15  H    0.013266  -0.006071   0.001433   0.513382  -0.579714  -0.372439
    16  H    0.016264  -0.012894  -0.027215   0.025706   0.042083  -0.119016
    17  H   -0.018000   0.007631   0.008949   0.709328  -0.062825   0.219688
    18  H   -0.012937   0.016328   0.015114   0.030122  -0.020947   0.002361
    19  H    0.007668  -0.017929  -0.050588   0.704754   0.019930   0.003638
    20  H    0.003624  -0.012400  -0.066810   0.119895   0.011363   0.036161
    21  H   -0.006025   0.013123   0.049391   0.517407  -0.020218  -0.016348
    22  H    0.005044  -0.004218   0.032266   0.018148  -0.018151   0.015995
    23  H   -0.008292   0.004722  -0.039466  -0.066008   0.046779   0.004932
    24  H    0.023370   0.004420  -0.005626  -0.111732   0.011026  -0.000829
    25  H    0.024661   0.002535   0.023956  -0.054048   0.025859   0.013003
    26  H   -0.193182   0.043297  -0.068652  -0.061107  -0.025819   0.023229
    27  H    0.012045  -0.023540   0.006515   0.156780   0.040735   0.011743
    28  H    0.003971   0.023695  -0.056875  -0.111993   0.024533   0.007691
    29  H    0.002481   0.024550   0.002754  -0.050286  -0.061240   0.035592
    30  H   -0.004203   0.005026   0.009484   0.018094   0.204332  -0.021856
    31  H    0.004296  -0.008264   0.005326  -0.062374   0.370031  -0.111487
    32  H   -0.688788  -0.034931  -0.021587   0.368609  -0.038693  -0.004325
    33  H   -0.129479  -0.070616   0.007914   0.643661   0.029355   0.005200
    34  H   -0.070008  -0.130026  -0.798255   0.643341   0.000258  -0.003163
    35  H   -0.036447  -0.686145  -0.133048   0.368913  -0.020497   0.001257
    36  H   -0.023329   0.012024  -0.031914   0.158838   0.000631  -0.010423
    37  H    0.043295  -0.192123   0.345884  -0.063169   0.022411   0.008482
               7          8          9         10         11         12
     1  C   -0.011342   0.212040   1.178387   0.013687  -0.025019   0.010195
     2  C    0.009367   0.148881   0.321810   0.029948  -0.009507  -0.011974
     3  N   -0.027666   0.427733   0.640969   0.655309   0.036270   0.280719
     4  Rh  -1.445452  -7.592521  -9.085128  -7.791973  -1.182250  -1.443199
     5  N    0.052242   0.769965   0.659385   0.912224   0.109951   0.057940
     6  C   -0.122577  -0.100044   0.037772   0.111798   0.044934  -0.086940
     7  C    5.781652   1.043461   0.281462   0.054072  -0.086868   0.028315
     8  N    1.043461   9.842770   1.127038   0.350569   0.008530   0.012126
     9  N    0.281462   1.127038  11.118659   0.501788   0.060257  -0.027223
    10  N    0.054072   0.350569   0.501788   9.974592   1.109422   0.049768
    11  C   -0.086868   0.008530   0.060257   1.109422   5.635981  -0.122132
    12  C    0.028315   0.012126  -0.027223   0.049768  -0.122132   5.779464
    13  N    0.010141   0.387914   0.427741   0.768936  -0.096603   1.039493
    14  H   -0.097069   0.077188  -0.067156   0.010170   0.035292  -0.008450
    15  H    0.169339  -0.050705   0.049601  -0.019673  -0.016161   0.005792
    16  H   -0.514711   0.072022   0.015096  -0.021286   0.002153   0.001335
    17  H   -0.475366  -0.692720  -0.051067   0.020370   0.003814   0.000388
    18  H    0.001160  -0.008473  -0.027241   0.041894  -0.117308  -0.517154
    19  H    0.000448   0.000166   0.009037  -0.062797   0.218631  -0.472503
    20  H   -0.008992  -0.023466  -0.011473  -0.063864  -0.551206  -0.097942
    21  H    0.005945   0.016379   0.001485  -0.580972  -0.374192   0.170147
    22  H    0.019939  -0.031707   0.009483   0.205070  -0.022239   0.009440
    23  H    0.004079   0.009315   0.005464   0.371173  -0.112027   0.029176
    24  H    0.002008   0.011908  -0.056891   0.024054   0.007604   0.024465
    25  H   -0.006754   0.007811   0.002439  -0.060105   0.035921  -0.124557
    26  H    0.015347   0.013253   0.343270   0.022487   0.008561  -0.000234
    27  H    0.001648   0.008893  -0.031911   0.000726  -0.010457   0.013414
    28  H    0.024284   0.282192  -0.006329   0.011001  -0.000853   0.002110
    29  H   -0.124641   0.347953   0.023761   0.025698   0.012916  -0.006778
    30  H    0.009176  -0.002062   0.032477  -0.017614   0.016193   0.019869
    31  H    0.029208  -0.038820  -0.041062   0.046374   0.004863   0.004134
    32  H    0.002985  -0.041608  -0.131884  -0.020709   0.001089  -0.004159
    33  H   -0.003688   0.017653  -0.798220   0.000284  -0.003117   0.007952
    34  H    0.007904  -0.008352   0.007974   0.029390   0.005264  -0.003767
    35  H   -0.003817   0.000267  -0.022237  -0.038394  -0.004406   0.002939
    36  H    0.013267  -0.007065   0.005852   0.040266   0.011621   0.001657
    37  H   -0.000130   0.046803  -0.068079  -0.026094   0.022859   0.015863
              13         14         15         16         17         18
     1  C    0.150514  -0.012555   0.013266   0.016264  -0.018000  -0.012937
     2  C    0.213092   0.003658  -0.006071  -0.012894   0.007631   0.016328
     3  N    1.127406  -0.011407   0.001433  -0.027215   0.008949   0.015114
     4  Rh  -7.603562   0.126186   0.513382   0.025706   0.709328   0.030122
     5  N    0.356151  -0.067624  -0.579714   0.042083  -0.062825  -0.020947
     6  C    0.010473  -0.553079  -0.372439  -0.119016   0.219688   0.002361
     7  C    0.010141  -0.097069   0.169339  -0.514711  -0.475366   0.001160
     8  N    0.387914   0.077188  -0.050705   0.072022  -0.692720  -0.008473
     9  N    0.427741  -0.067156   0.049601   0.015096  -0.051067  -0.027241
    10  N    0.768936   0.010170  -0.019673  -0.021286   0.020370   0.041894
    11  C   -0.096603   0.035292  -0.016161   0.002153   0.003814  -0.117308
    12  C    1.039493  -0.008450   0.005792   0.001335   0.000388  -0.517154
    13  N    9.849155  -0.023253   0.016332  -0.008382   0.000066   0.068212
    14  H   -0.023253   2.799325  -0.590285   0.210849  -0.180005  -0.000559
    15  H    0.016332  -0.590285   2.487015  -0.169961  -0.026879   0.000475
    16  H   -0.008382   0.210849  -0.169961   2.769998  -0.608068  -0.000555
    17  H    0.000066  -0.180005  -0.026879  -0.608068   2.578497  -0.000314
    18  H    0.068212  -0.000559   0.000475  -0.000555  -0.000314   2.769685
    19  H   -0.690775  -0.000824   0.000447  -0.000305   0.000122  -0.607191
    20  H    0.077515   0.000706   0.000152  -0.000586  -0.000865   0.210959
    21  H   -0.051569   0.000069  -0.001468   0.000476   0.000455  -0.170277
    22  H   -0.001409   0.009848   0.000776  -0.002572  -0.004733  -0.004869
    23  H   -0.038806  -0.003623   0.000452  -0.004504   0.005851  -0.019495
    24  H    0.281053  -0.000511  -0.000553  -0.001009   0.000406  -0.083542
    25  H    0.350172  -0.004093   0.003378   0.000250  -0.000896   0.033288
    26  H    0.046952  -0.004290   0.000938  -0.003583   0.003250  -0.000290
    27  H   -0.006726  -0.004812   0.005054  -0.000190   0.002948  -0.001702
    28  H    0.011902  -0.002278   0.010833  -0.083468  -0.005768  -0.001008
    29  H    0.007749  -0.030948   0.008408   0.033112  -0.005331   0.000262
    30  H   -0.031875  -0.086581   0.024332  -0.004806   0.012860  -0.002594
    31  H    0.008839   0.052229  -0.030343  -0.019667   0.005414  -0.004506
    32  H   -0.000176  -0.000907   0.000495   0.000895  -0.001236  -0.000017
    33  H   -0.008486  -0.000403   0.000967  -0.006546   0.000317  -0.002435
    34  H    0.017360  -0.000471   0.000032  -0.002453  -0.000190  -0.006522
    35  H   -0.041690  -0.000045  -0.000460   0.000007   0.009442   0.000895
    36  H    0.009005   0.000999  -0.000584  -0.001700   0.000455  -0.000259
    37  H    0.013366   0.000779  -0.000716  -0.000288  -0.000351  -0.003581
              19         20         21         22         23         24
     1  C    0.007668   0.003624  -0.006025   0.005044  -0.008292   0.023370
     2  C   -0.017929  -0.012400   0.013123  -0.004218   0.004722   0.004420
     3  N   -0.050588  -0.066810   0.049391   0.032266  -0.039466  -0.005626
     4  Rh   0.704754   0.119895   0.517407   0.018148  -0.066008  -0.111732
     5  N    0.019930   0.011363  -0.020218  -0.018151   0.046779   0.011026
     6  C    0.003638   0.036161  -0.016348   0.015995   0.004932  -0.000829
     7  C    0.000448  -0.008992   0.005945   0.019939   0.004079   0.002008
     8  N    0.000166  -0.023466   0.016379  -0.031707   0.009315   0.011908
     9  N    0.009037  -0.011473   0.001485   0.009483   0.005464  -0.056891
    10  N   -0.062797  -0.063864  -0.580972   0.205070   0.371173   0.024054
    11  C    0.218631  -0.551206  -0.374192  -0.022239  -0.112027   0.007604
    12  C   -0.472503  -0.097942   0.170147   0.009440   0.029176   0.024465
    13  N   -0.690775   0.077515  -0.051569  -0.001409  -0.038806   0.281053
    14  H   -0.000824   0.000706   0.000069   0.009848  -0.003623  -0.000511
    15  H    0.000447   0.000152  -0.001468   0.000776   0.000452  -0.000553
    16  H   -0.000305  -0.000586   0.000476  -0.002572  -0.004504  -0.001009
    17  H    0.000122  -0.000865   0.000455  -0.004733   0.005851   0.000406
    18  H   -0.607191   0.210959  -0.170277  -0.004869  -0.019495  -0.083542
    19  H    2.578125  -0.180384  -0.026297   0.012840   0.005418  -0.005800
    20  H   -0.180384   2.799315  -0.591379  -0.086737   0.052232  -0.002271
    21  H   -0.026297  -0.591379   2.488205   0.024275  -0.030234   0.010857
    22  H    0.012840  -0.086737   0.024275   1.004446  -0.155583  -0.001154
    23  H    0.005418   0.052232  -0.030234  -0.155583   0.873027   0.005592
    24  H   -0.005800  -0.002271   0.010857  -0.001154   0.005592   1.009700
    25  H   -0.005808  -0.030923   0.008352   0.003258  -0.004957  -0.131790
    26  H   -0.000351   0.000789  -0.000716  -0.000000   0.000323   0.002052
    27  H    0.000471   0.000986  -0.000585   0.000200   0.000792   0.001545
    28  H    0.000399  -0.000546  -0.000540  -0.000972   0.000380   0.000748
    29  H   -0.000886  -0.004057   0.003356   0.001842  -0.001749   0.000921
    30  H   -0.004744   0.010252   0.000723   0.004698  -0.000399  -0.000990
    31  H    0.005881  -0.003725   0.000497  -0.000415   0.004222   0.000378
    32  H    0.009463  -0.000053  -0.000473  -0.000706  -0.001374   0.011464
    33  H   -0.000189  -0.000472   0.000037   0.000329  -0.000964  -0.003150
    34  H    0.000318  -0.000401   0.000965   0.000073   0.005326   0.004405
    35  H   -0.001223  -0.000894   0.000476  -0.000596  -0.001843  -0.009205
    36  H    0.002920  -0.004810   0.005057  -0.001948   0.008161  -0.000851
    37  H    0.003201  -0.004315   0.000977   0.001683  -0.001533   0.003031
              25         26         27         28         29         30
     1  C    0.024661  -0.193182   0.012045   0.003971   0.002481  -0.004203
     2  C    0.002535   0.043297  -0.023540   0.023695   0.024550   0.005026
     3  N    0.023956  -0.068652   0.006515  -0.056875   0.002754   0.009484
     4  Rh  -0.054048  -0.061107   0.156780  -0.111993  -0.050286   0.018094
     5  N    0.025859  -0.025819   0.040735   0.024533  -0.061240   0.204332
     6  C    0.013003   0.023229   0.011743   0.007691   0.035592  -0.021856
     7  C   -0.006754   0.015347   0.001648   0.024284  -0.124641   0.009176
     8  N    0.007811   0.013253   0.008893   0.282192   0.347953  -0.002062
     9  N    0.002439   0.343270  -0.031911  -0.006329   0.023761   0.032477
    10  N   -0.060105   0.022487   0.000726   0.011001   0.025698  -0.017614
    11  C    0.035921   0.008561  -0.010457  -0.000853   0.012916   0.016193
    12  C   -0.124557  -0.000234   0.013414   0.002110  -0.006778   0.019869
    13  N    0.350172   0.046952  -0.006726   0.011902   0.007749  -0.031875
    14  H   -0.004093  -0.004290  -0.004812  -0.002278  -0.030948  -0.086581
    15  H    0.003378   0.000938   0.005054   0.010833   0.008408   0.024332
    16  H    0.000250  -0.003583  -0.000190  -0.083468   0.033112  -0.004806
    17  H   -0.000896   0.003250   0.002948  -0.005768  -0.005331   0.012860
    18  H    0.033288  -0.000290  -0.001702  -0.001008   0.000262  -0.002594
    19  H   -0.005808  -0.000351   0.000471   0.000399  -0.000886  -0.004744
    20  H   -0.030923   0.000789   0.000986  -0.000546  -0.004057   0.010252
    21  H    0.008352  -0.000716  -0.000585  -0.000540   0.003356   0.000723
    22  H    0.003258  -0.000000   0.000200  -0.000972   0.001842   0.004698
    23  H   -0.004957   0.000323   0.000792   0.000380  -0.001749  -0.000399
    24  H   -0.131790   0.002052   0.001545   0.000748   0.000921  -0.000990
    25  H    0.842297  -0.000899   0.002557   0.000921   0.001031   0.001833
    26  H   -0.000899   0.880657  -0.133046   0.003049  -0.000577   0.001677
    27  H    0.002557  -0.133046   1.002478  -0.000837   0.001702  -0.001965
    28  H    0.000921   0.003049  -0.000837   1.009383  -0.132040  -0.001148
    29  H    0.001031  -0.000577   0.001702  -0.132040   0.843313   0.003241
    30  H    0.001833   0.001677  -0.001965  -0.001148   0.003241   1.004724
    31  H   -0.001755  -0.001477   0.008183   0.005528  -0.004950  -0.155256
    32  H   -0.008012   0.062057  -0.100886  -0.009237  -0.002917  -0.000602
    33  H    0.005538  -0.027614   0.048456   0.004400   0.001704   0.000063
    34  H    0.001714   0.011918   0.004180  -0.003104   0.005521   0.000329
    35  H   -0.002934  -0.009219  -0.005676   0.011264  -0.007903  -0.000706
    36  H    0.001720   0.002173  -0.000338   0.001510   0.002581   0.000196
    37  H   -0.000535  -0.001021   0.002181   0.002031  -0.000929  -0.000004
              31         32         33         34         35         36
     1  C    0.004296  -0.688788  -0.129479  -0.070008  -0.036447  -0.023329
     2  C   -0.008264  -0.034931  -0.070616  -0.130026  -0.686145   0.012024
     3  N    0.005326  -0.021587   0.007914  -0.798255  -0.133048  -0.031914
     4  Rh  -0.062374   0.368609   0.643661   0.643341   0.368913   0.158838
     5  N    0.370031  -0.038693   0.029355   0.000258  -0.020497   0.000631
     6  C   -0.111487  -0.004325   0.005200  -0.003163   0.001257  -0.010423
     7  C    0.029208   0.002985  -0.003688   0.007904  -0.003817   0.013267
     8  N   -0.038820  -0.041608   0.017653  -0.008352   0.000267  -0.007065
     9  N   -0.041062  -0.131884  -0.798220   0.007974  -0.022237   0.005852
    10  N    0.046374  -0.020709   0.000284   0.029390  -0.038394   0.040266
    11  C    0.004863   0.001089  -0.003117   0.005264  -0.004406   0.011621
    12  C    0.004134  -0.004159   0.007952  -0.003767   0.002939   0.001657
    13  N    0.008839  -0.000176  -0.008486   0.017360  -0.041690   0.009005
    14  H    0.052229  -0.000907  -0.000403  -0.000471  -0.000045   0.000999
    15  H   -0.030343   0.000495   0.000967   0.000032  -0.000460  -0.000584
    16  H   -0.019667   0.000895  -0.006546  -0.002453   0.000007  -0.001700
    17  H    0.005414  -0.001236   0.000317  -0.000190   0.009442   0.000455
    18  H   -0.004506  -0.000017  -0.002435  -0.006522   0.000895  -0.000259
    19  H    0.005881   0.009463  -0.000189   0.000318  -0.001223   0.002920
    20  H   -0.003725  -0.000053  -0.000472  -0.000401  -0.000894  -0.004810
    21  H    0.000497  -0.000473   0.000037   0.000965   0.000476   0.005057
    22  H   -0.000415  -0.000706   0.000329   0.000073  -0.000596  -0.001948
    23  H    0.004222  -0.001374  -0.000964   0.005326  -0.001843   0.008161
    24  H    0.000378   0.011464  -0.003150   0.004405  -0.009205  -0.000851
    25  H   -0.001755  -0.008012   0.005538   0.001714  -0.002934   0.001720
    26  H   -0.001477   0.062057  -0.027614   0.011918  -0.009219   0.002173
    27  H    0.008183  -0.100886   0.048456   0.004180  -0.005676  -0.000338
    28  H    0.005528  -0.009237   0.004400  -0.003104   0.011264   0.001510
    29  H   -0.004950  -0.002917   0.001704   0.005521  -0.007903   0.002581
    30  H   -0.155256  -0.000602   0.000063   0.000329  -0.000706   0.000196
    31  H    0.872746  -0.001867   0.005331  -0.000957  -0.001371   0.000781
    32  H   -0.001867   2.845454  -0.640352  -0.194158   0.228377  -0.005642
    33  H    0.005331  -0.640352   2.601266  -0.052442  -0.194169   0.004177
    34  H   -0.000957  -0.194158  -0.052442   2.600478  -0.639452   0.048627
    35  H   -0.001371   0.228377  -0.194169  -0.639452   2.844318  -0.101164
    36  H    0.000781  -0.005642   0.004177   0.048627  -0.101164   1.001395
    37  H    0.000326  -0.009328   0.011849  -0.027823   0.061905  -0.133050
              37
     1  C    0.043295
     2  C   -0.192123
     3  N    0.345884
     4  Rh  -0.063169
     5  N    0.022411
     6  C    0.008482
     7  C   -0.000130
     8  N    0.046803
     9  N   -0.068079
    10  N   -0.026094
    11  C    0.022859
    12  C    0.015863
    13  N    0.013366
    14  H    0.000779
    15  H   -0.000716
    16  H   -0.000288
    17  H   -0.000351
    18  H   -0.003581
    19  H    0.003201
    20  H   -0.004315
    21  H    0.000977
    22  H    0.001683
    23  H   -0.001533
    24  H    0.003031
    25  H   -0.000535
    26  H   -0.001021
    27  H    0.002181
    28  H    0.002031
    29  H   -0.000929
    30  H   -0.000004
    31  H    0.000326
    32  H   -0.009328
    33  H    0.011849
    34  H   -0.027823
    35  H    0.061905
    36  H   -0.133050
    37  H    0.879171
 Mulliken charges:
               1
     1  C    1.382244
     2  C    1.381083
     3  N    0.561990
     4  Rh  -1.634190
     5  N    0.323171
     6  C    1.341624
     7  C    1.361623
     8  N    0.354713
     9  N    0.564695
    10  N    0.322413
    11  C    1.342217
    12  C    1.360313
    13  N    0.353773
    14  H   -0.576071
    15  H   -0.446884
    16  H   -0.576482
    17  H   -0.455635
    18  H   -0.576975
    19  H   -0.455284
    20  H   -0.575379
    21  H   -0.447362
    22  H   -0.041643
    23  H    0.053439
    24  H   -0.025104
    25  H    0.045573
    26  H    0.046797
    27  H   -0.011559
    28  H   -0.024828
    29  H    0.044784
    30  H   -0.042173
    31  H    0.053710
    32  H   -0.566263
    33  H   -0.454112
    34  H   -0.453833
    35  H   -0.566518
    36  H   -0.010839
    37  H    0.046974
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.361869
     2  C    0.360732
     3  N    0.598125
     4  Rh  -1.634190
     5  N    0.334707
     6  C    0.318669
     7  C    0.329506
     8  N    0.374669
     9  N    0.599932
    10  N    0.334209
    11  C    0.319477
    12  C    0.328053
    13  N    0.374241
 Electronic spatial extent (au):  <R**2>=           2781.8208
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0223    Y=             -0.0002    Z=              0.0002  Tot=              0.0223
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -31.0298   YY=            -31.5001   ZZ=            -54.0618
   XY=             -0.0010   XZ=             -0.0048   YZ=             -0.1445
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.8341   YY=              7.3638   ZZ=            -15.1979
   XY=             -0.0010   XZ=             -0.0048   YZ=             -0.1445
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -36.2435  YYY=              0.2074  ZZZ=              0.0442  XYY=             36.9934
  XXY=             -0.2063  XXZ=              0.0094  XZZ=             -0.5087  YZZ=             -0.0078
  YYZ=              0.0204  XYZ=             -0.7847
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1021.5381 YYYY=           -987.3987 ZZZZ=           -360.9948 XXXY=              0.0511
 XXXZ=              0.1740 YYYX=             -0.0412 YYYZ=             37.0080 ZZZX=             -0.0104
 ZZZY=             -4.6136 XXYY=           -337.0570 XXZZ=           -233.7575 YYZZ=           -235.0762
 XXYZ=            -35.3292 YYXZ=             -0.2291 ZZXY=             -0.0065
 N-N= 1.198241205491D+03 E-N=-3.904732518064D+03  KE= 6.075987704834D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 21:37:28 2021, MaxMem= 10737418240 cpu:              12.6 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 8.90860634D-03-8.00422508D-05 1.00325385D-04
 Polarizability= 1.50517013D+02-7.52488376D-04 1.49049515D+02
                -1.56818627D-03 5.98748852D-02 1.18804058D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0009    0.0009       -0.0006   -0.0005
 2     -0.0009   -0.0009       -0.0287   -0.0315       -0.7664   -0.7646
 3      0.0006    0.0005       17.1271   17.1235        0.0267    0.0315
 4      0.0287    0.0315       -0.0000    0.0000        0.0004    0.0005
 5    -16.3607  -16.3590       -0.0004   -0.0005        0.0009    0.0009
 6     -0.0267   -0.0315       -0.0009   -0.0009       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0026   -0.0026       -0.0014   -0.0014
 2      0.0944    0.0944       -0.0000    0.0000       -0.0014   -0.0014
 3      0.0944    0.0944       -0.0026   -0.0026        0.0000    0.0000
 4     -0.0026   -0.0026       -0.0944   -0.0944       -2.2937   -2.2937
 5      0.0014    0.0014       51.3706   51.3706        0.0944    0.0944
 6    -49.0769  -49.0769       -0.0014   -0.0014        0.0026    0.0026
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1650    0.0000       -0.0023   -0.0034        0.0040    0.0019
 2      0.0056    0.0034        0.1076    0.1259        3.0854    3.0583
 3     -0.0025   -0.0019      -68.4632  -68.4942       -0.1525   -0.1259
 4     -0.0194   -0.1259        0.0002    0.0000        0.0006   -0.0019
 5     65.4822   65.4359        0.0027    0.0019       -0.0061   -0.0034
 6      0.1660    0.1259        0.0041    0.0034       -0.0012    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.0576    0.0000       -0.0196   -0.0131        0.0696    0.0646
 2      0.0209    0.0131       -3.7931   -4.2470       -9.9331   -9.4369
 3     -0.0556   -0.0646       -6.7247   -7.5407        4.0035    4.2470
 4      4.9082    4.2470        0.0146    0.0000       -0.0906   -0.0646
 5     15.4798   16.9776        0.0451    0.0646        0.0192   -0.0131
 6     -4.0751   -4.2470        0.0090    0.0131        0.0129    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    104.7768  104.8106        0.4965    0.5012        0.0076    0.0101
 2    110.7529  110.8242        0.5022    0.5055        0.0067    0.0101
 3    110.7582  110.8242        0.4970    0.5012       -0.0014    0.0040
 4     -0.0122   -0.0043       -6.0031   -6.0136        3.1340    3.0585
 5     -0.0055   -0.0061      -37.5494  -37.7446        6.0143    6.0136
 6     34.6270   34.6861        0.0041    0.0061        0.0055    0.0043
 Full mass-weighted force constant matrix:
 Low frequencies ---  -18.7638  -13.0428   -5.2346   -0.0003    0.0004    0.0005
 Low frequencies ---   87.2320   90.4818  111.3947
 Diagonal vibrational polarizability:
       15.2900420      13.7720291      12.4000970
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     87.2132                90.4421               111.3698
 Red. masses --      3.0313                 2.9985                 2.8527
 Frc consts  --      0.0136                 0.0145                 0.0208
 IR Inten    --      0.0214                 0.0119                 0.1948
 RamAct Fr= 1--      1.0595                 1.0823                 0.0747
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1514                 0.1546                 0.0107
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.1130                -0.3340                 0.0573
 Delta2 Fr= 1--     -0.0619                -0.0664                -0.0031
 Raman1 Fr= 1--       4.238                  4.329                  0.299
 ROA1   Fr= 1--       8.872                -34.187                  5.400
 CID1   Fr= 1--       2.093                 -7.897                 18.069
 Raman2 Fr= 1--       1.816                  1.855                  0.128
 ROA2   Fr= 1--       3.208                 -7.484                  1.400
 CID2   Fr= 1--       1.766                 -4.033                 10.933
 Raman3 Fr= 1--       3.633                  3.711                  0.256
 ROA3   Fr= 1--       8.872                -34.187                  5.400
 CID3   Fr= 1--       2.442                 -9.213                 21.081
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.02  -0.00    -0.04   0.20   0.08     0.06  -0.01  -0.09
     2   6    -0.04   0.03   0.00     0.04   0.20   0.08    -0.06  -0.01  -0.09
     3   7    -0.05   0.03   0.02    -0.03  -0.00  -0.04    -0.06   0.06   0.03
     4  45    -0.04  -0.00   0.00     0.00  -0.04  -0.01     0.00  -0.01   0.06
     5   7    -0.02  -0.05  -0.01     0.01  -0.02   0.03     0.02  -0.08   0.03
     6   6     0.11  -0.16   0.06    -0.08   0.04   0.00    -0.05   0.04  -0.10
     7   6     0.16  -0.05   0.05    -0.13  -0.01  -0.03    -0.07   0.00  -0.11
     8   7    -0.01   0.01  -0.03    -0.06  -0.04  -0.01     0.06   0.01   0.02
     9   7    -0.04  -0.03  -0.02     0.04  -0.00  -0.03     0.06   0.06   0.03
    10   7    -0.02   0.05   0.01    -0.01  -0.02   0.03    -0.02  -0.08   0.02
    11   6     0.11   0.16  -0.06     0.07   0.03   0.01     0.04   0.03  -0.10
    12   6     0.17   0.05  -0.05     0.11  -0.02  -0.03     0.07   0.00  -0.11
    13   7    -0.01  -0.02   0.03     0.06  -0.04  -0.01    -0.06   0.01   0.02
    14   1     0.04  -0.28   0.06    -0.07   0.10   0.03     0.01   0.16  -0.10
    15   1     0.21  -0.19   0.11    -0.11   0.05  -0.01    -0.13   0.01  -0.19
    16   1     0.24   0.07   0.03    -0.14  -0.07  -0.05    -0.14  -0.12  -0.12
    17   1     0.23  -0.11   0.09    -0.18   0.02  -0.05    -0.11   0.09  -0.21
    18   1     0.26  -0.07  -0.04     0.13  -0.07  -0.05     0.14  -0.12  -0.12
    19   1     0.24   0.12  -0.10     0.17   0.02  -0.04     0.10   0.09  -0.21
    20   1     0.05   0.28  -0.06     0.06   0.09   0.03    -0.01   0.15  -0.09
    21   1     0.22   0.19  -0.11     0.09   0.04  -0.00     0.12   0.01  -0.19
    22   1    -0.08   0.10   0.10    -0.05   0.00   0.08    -0.05  -0.08   0.13
    23   1    -0.03  -0.06  -0.04    -0.04  -0.07  -0.00    -0.04  -0.20  -0.03
    24   1    -0.00  -0.10   0.13     0.08  -0.07  -0.01    -0.08  -0.01   0.12
    25   1    -0.12   0.02  -0.03     0.05  -0.01  -0.02    -0.18   0.06  -0.04
    26   1    -0.04  -0.03  -0.06     0.17   0.03  -0.14     0.02   0.04   0.12
    27   1    -0.04  -0.07  -0.02    -0.01  -0.13  -0.03     0.11   0.15   0.03
    28   1    -0.01   0.09  -0.13    -0.08  -0.08   0.00     0.08  -0.01   0.12
    29   1    -0.12  -0.02   0.03    -0.04  -0.01  -0.02     0.18   0.06  -0.04
    30   1    -0.08  -0.10  -0.09     0.06   0.01   0.09     0.05  -0.08   0.13
    31   1    -0.03   0.05   0.04     0.04  -0.07  -0.01     0.05  -0.20  -0.03
    32   1    -0.05  -0.03   0.03    -0.23   0.20   0.09     0.15  -0.01  -0.10
    33   1    -0.04  -0.02  -0.02     0.02   0.34   0.14     0.06  -0.05  -0.16
    34   1    -0.05   0.04   0.02    -0.02   0.34   0.14    -0.06  -0.05  -0.16
    35   1    -0.04   0.04  -0.02     0.23   0.20   0.09    -0.15  -0.01  -0.10
    36   1    -0.04   0.06   0.02     0.01  -0.13  -0.03    -0.11   0.15   0.03
    37   1    -0.05   0.03   0.05    -0.16   0.03  -0.15    -0.02   0.04   0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    142.4225               143.9151               160.6105
 Red. masses --      2.9021                 2.9067                 2.7002
 Frc consts  --      0.0347                 0.0355                 0.0410
 IR Inten    --      0.3605                 0.6318                 0.0271
 RamAct Fr= 1--      0.1991                 0.3366                 1.8247
  Dep-P Fr= 1--      0.7500                 0.7202                 0.7413
  Dep-U Fr= 1--      0.8571                 0.8374                 0.8514
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0003
 Beta2  Fr= 1--      0.0284                 0.0470                 0.2589
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0046
 Gamma2 Fr= 1--      0.8158                 1.0395                -2.2893
 Delta2 Fr= 1--      0.2021                 0.2647                -0.8165
 Raman1 Fr= 1--       0.796                  1.347                  7.299
 ROA1   Fr= 1--      84.782                108.260               -245.901
 CID1   Fr= 1--     106.451                 80.401                -33.690
 Raman2 Fr= 1--       0.341                  0.564                  3.107
 ROA2   Fr= 1--      17.961                 22.830                -48.411
 CID2   Fr= 1--      52.623                 40.497                -15.580
 Raman3 Fr= 1--       0.683                  1.127                  6.214
 ROA3   Fr= 1--      84.782                108.260               -245.901
 CID3   Fr= 1--     124.197                 96.018                -39.569
 RC180  Fr= 1--       0.714                  0.675                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.08     0.03  -0.11  -0.02    -0.03   0.09   0.01
     2   6    -0.02   0.04  -0.09     0.03   0.11   0.01    -0.03  -0.09  -0.01
     3   7    -0.05   0.01  -0.04     0.02   0.13   0.09    -0.00  -0.09  -0.07
     4  45    -0.00  -0.02  -0.00     0.01  -0.00   0.00     0.00  -0.00  -0.00
     5   7    -0.10   0.06  -0.06     0.06   0.03   0.07     0.09  -0.04   0.08
     6   6    -0.06   0.04  -0.05    -0.01   0.03   0.12     0.04  -0.02   0.08
     7   6     0.01  -0.02   0.13    -0.06   0.02   0.03    -0.03   0.02  -0.08
     8   7     0.07  -0.09   0.09    -0.08   0.01  -0.01    -0.08   0.05  -0.07
     9   7     0.05   0.03  -0.03     0.02  -0.13  -0.09    -0.00   0.09   0.07
    10   7     0.09   0.06  -0.05     0.07  -0.02  -0.07     0.09   0.04  -0.08
    11   6     0.06   0.04  -0.04    -0.00  -0.02  -0.13     0.04   0.02  -0.08
    12   6    -0.01  -0.02   0.13    -0.06  -0.02  -0.02    -0.03  -0.02   0.08
    13   7    -0.06  -0.09   0.09    -0.09  -0.02   0.02    -0.08  -0.05   0.07
    14   1     0.05   0.02  -0.17    -0.07   0.02   0.18    -0.05   0.00   0.18
    15   1    -0.16   0.10  -0.08     0.05   0.03   0.17     0.13  -0.06   0.11
    16   1    -0.05   0.06   0.24    -0.02  -0.01  -0.02     0.03  -0.05  -0.18
    17   1     0.09  -0.09   0.18    -0.12   0.03   0.05    -0.11   0.07  -0.11
    18   1     0.06   0.06   0.24    -0.02   0.01   0.04     0.03   0.05   0.18
    19   1    -0.07  -0.09   0.18    -0.13  -0.04  -0.03    -0.11  -0.07   0.10
    20   1    -0.04   0.03  -0.15    -0.07  -0.02  -0.20    -0.05  -0.00  -0.19
    21   1     0.15   0.10  -0.06     0.06  -0.02  -0.18     0.13   0.06  -0.11
    22   1     0.10   0.11  -0.16     0.09  -0.04  -0.11     0.11   0.07  -0.17
    23   1     0.18   0.10  -0.00     0.12  -0.03  -0.05     0.18   0.07  -0.03
    24   1    -0.08  -0.11   0.19    -0.13   0.01   0.10    -0.11  -0.05   0.17
    25   1    -0.12  -0.17   0.05    -0.15  -0.05  -0.02    -0.14  -0.11   0.03
    26   1     0.07   0.03  -0.01    -0.00  -0.12  -0.23     0.03   0.08   0.14
    27   1     0.08   0.04  -0.03     0.05  -0.27  -0.08    -0.01   0.16   0.06
    28   1     0.10  -0.11   0.20    -0.12  -0.02  -0.08    -0.11   0.05  -0.17
    29   1     0.14  -0.17   0.04    -0.14   0.03   0.03    -0.15   0.11  -0.03
    30   1    -0.11   0.10  -0.17     0.08   0.05   0.10     0.10  -0.07   0.17
    31   1    -0.19   0.09  -0.01     0.10   0.04   0.05     0.18  -0.07   0.03
    32   1     0.01   0.06  -0.10     0.06  -0.18   0.12    -0.07   0.16  -0.11
    33   1     0.05   0.08  -0.10     0.02  -0.18  -0.11    -0.01   0.17   0.09
    34   1    -0.05   0.06  -0.11     0.02   0.18   0.10    -0.01  -0.17  -0.09
    35   1    -0.02   0.04  -0.09     0.05   0.19  -0.13    -0.07  -0.16   0.11
    36   1    -0.09   0.01  -0.03     0.04   0.27   0.07    -0.01  -0.16  -0.06
    37   1    -0.07   0.01  -0.04    -0.01   0.12   0.23     0.03  -0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --    214.1110               214.6581               218.6226
 Red. masses --      2.7389                 2.7547                 2.9959
 Frc consts  --      0.0740                 0.0748                 0.0844
 IR Inten    --      6.3106                 6.0446                13.5935
 RamAct Fr= 1--      3.0060                 2.6887                 0.0332
  Dep-P Fr= 1--      0.7452                 0.7500                 0.7492
  Dep-U Fr= 1--      0.8540                 0.8571                 0.8566
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4278                 0.3841                 0.0047
 AlphaG Fr= 1--     -0.0016                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.9719                -0.8548                -0.0751
 Delta2 Fr= 1--     -0.0586                 0.0222                -0.0189
 Raman1 Fr= 1--      12.024                 10.755                  0.133
 ROA1   Fr= 1--     -95.179                -81.348                 -7.818
 CID1   Fr= 1--      -7.916                 -7.564                -58.946
 Raman2 Fr= 1--       5.134                  4.609                  0.057
 ROA2   Fr= 1--     -22.857                -20.693                 -1.651
 CID2   Fr= 1--      -4.452                 -4.490                -29.070
 Raman3 Fr= 1--      10.268                  9.218                  0.114
 ROA3   Fr= 1--     -95.179                -81.348                 -7.818
 CID3   Fr= 1--      -9.269                 -8.825                -68.813
 RC180  Fr= 1--       0.708                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.03  -0.00     0.05   0.02  -0.02     0.00   0.03  -0.04
     2   6    -0.08   0.03   0.00    -0.05   0.02  -0.02    -0.00   0.03  -0.04
     3   7    -0.07   0.03  -0.01    -0.02   0.14   0.10    -0.07  -0.09  -0.04
     4  45    -0.01   0.00   0.00    -0.00  -0.01  -0.01    -0.00  -0.00   0.07
     5   7     0.10  -0.11   0.07    -0.07  -0.02  -0.05    -0.13  -0.01  -0.03
     6   6     0.01  -0.02  -0.01    -0.05  -0.08   0.03    -0.01  -0.07  -0.04
     7   6    -0.03  -0.08  -0.02    -0.05  -0.05   0.00     0.05   0.03  -0.04
     8   7     0.09  -0.08   0.08    -0.11  -0.02  -0.03    -0.06   0.10  -0.03
     9   7    -0.07  -0.04   0.00     0.01   0.14   0.10     0.07  -0.09  -0.04
    10   7     0.09   0.11  -0.06     0.07  -0.01  -0.05     0.13  -0.01  -0.03
    11   6     0.01   0.03   0.00     0.05  -0.08   0.03     0.01  -0.06  -0.04
    12   6    -0.03   0.08   0.02     0.05  -0.04   0.00    -0.05   0.03  -0.04
    13   7     0.08   0.08  -0.08     0.12  -0.02  -0.03     0.06   0.10  -0.03
    14   1     0.06   0.09   0.00    -0.11  -0.16   0.06    -0.04  -0.13  -0.05
    15   1    -0.06  -0.02  -0.06     0.03  -0.08   0.10     0.04  -0.11  -0.05
    16   1    -0.09  -0.20  -0.03    -0.00  -0.02  -0.02     0.09   0.10  -0.04
    17   1    -0.07   0.01  -0.10    -0.04  -0.06   0.02     0.12   0.00  -0.04
    18   1    -0.09   0.20   0.03    -0.00  -0.00  -0.02    -0.09   0.10  -0.04
    19   1    -0.07  -0.00   0.10     0.03  -0.06   0.02    -0.12   0.00  -0.04
    20   1     0.05  -0.07  -0.01     0.11  -0.16   0.06     0.04  -0.13  -0.05
    21   1    -0.05   0.03   0.05    -0.03  -0.08   0.10    -0.04  -0.11  -0.05
    22   1     0.12   0.15  -0.23     0.09   0.01  -0.13     0.17  -0.01  -0.16
    23   1     0.20   0.21   0.02     0.11   0.07  -0.01     0.23   0.05   0.03
    24   1     0.13   0.08  -0.22     0.15  -0.01  -0.13     0.09   0.15  -0.17
    25   1     0.22   0.10   0.00     0.21   0.01   0.02     0.17   0.17   0.04
    26   1    -0.08  -0.04  -0.01    -0.02   0.11   0.29     0.11  -0.06  -0.18
    27   1    -0.07  -0.04   0.00     0.01   0.32   0.08     0.12  -0.22  -0.02
    28   1     0.14  -0.08   0.23    -0.14  -0.02  -0.12    -0.09   0.15  -0.16
    29   1     0.23  -0.10  -0.00    -0.19   0.01   0.02    -0.17   0.16   0.04
    30   1     0.13  -0.15   0.24    -0.08  -0.00  -0.12    -0.17  -0.01  -0.16
    31   1     0.21  -0.22  -0.02    -0.10   0.05  -0.01    -0.23   0.05   0.03
    32   1    -0.07  -0.06   0.04     0.19   0.02  -0.02    -0.09   0.03  -0.03
    33   1    -0.08  -0.05  -0.04     0.02  -0.06  -0.08     0.06   0.11  -0.04
    34   1    -0.07   0.05   0.04    -0.03  -0.05  -0.08    -0.06   0.11  -0.04
    35   1    -0.05   0.06  -0.04    -0.19   0.02  -0.02     0.09   0.03  -0.03
    36   1    -0.06   0.02  -0.01    -0.02   0.32   0.08    -0.12  -0.22  -0.02
    37   1    -0.08   0.03  -0.01     0.01   0.11   0.29    -0.11  -0.06  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    248.0949               293.8793               305.0080
 Red. masses --      4.5464                 2.0369                 1.9489
 Frc consts  --      0.1649                 0.1036                 0.1068
 IR Inten    --      0.0102                 1.9235                 1.2407
 RamAct Fr= 1--     17.6408                 1.8483                 0.5666
  Dep-P Fr= 1--      0.0875                 0.5685                 0.6838
  Dep-U Fr= 1--      0.1609                 0.7249                 0.8122
 Alpha2 Fr= 1--      0.3184                 0.0063                 0.0007
 Beta2  Fr= 1--      0.4730                 0.2233                 0.0767
 AlphaG Fr= 1--      0.0800                -0.0210                 0.0016
 Gamma2 Fr= 1--      4.8783                -0.6650                -0.4997
 Delta2 Fr= 1--      0.5208                -0.2519                -0.0068
 Raman1 Fr= 1--      70.563                  7.393                  2.266
 ROA1   Fr= 1--     484.981                -71.900                -48.190
 CID1   Fr= 1--       6.873                 -9.725                -21.263
 Raman2 Fr= 1--       5.676                  2.680                  0.920
 ROA2   Fr= 1--     112.912                -13.945                -11.939
 CID2   Fr= 1--      19.892                 -5.204                -12.971
 Raman3 Fr= 1--      11.352                  5.359                  1.841
 ROA3   Fr= 1--     484.981                -71.900                -48.190
 CID3   Fr= 1--      42.721                -13.416                -26.179
 RC180  Fr= 1--      -0.678                  0.450                  0.624
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17   0.00  -0.00    -0.09   0.11   0.01    -0.01   0.00  -0.01
     2   6     0.17  -0.00   0.00    -0.09  -0.11  -0.01     0.03  -0.00  -0.01
     3   7     0.13  -0.05   0.02     0.02   0.08   0.03     0.03  -0.01  -0.03
     4  45     0.00   0.00  -0.00     0.04   0.00   0.00    -0.00   0.04   0.00
     5   7    -0.05  -0.11  -0.05     0.00  -0.01  -0.04    -0.03   0.01  -0.03
     6   6    -0.08  -0.17   0.02    -0.02  -0.02  -0.01    -0.01  -0.07   0.06
     7   6    -0.10  -0.15  -0.03    -0.02  -0.04   0.02    -0.06  -0.04  -0.05
     8   7    -0.08  -0.09   0.05    -0.03  -0.04   0.00     0.05  -0.01   0.06
     9   7     0.13   0.06  -0.02     0.02  -0.08  -0.04    -0.02  -0.01  -0.04
    10   7    -0.06   0.11   0.05     0.00   0.01   0.04     0.04   0.03  -0.04
    11   6    -0.08   0.17  -0.02    -0.02   0.02   0.01     0.01  -0.08   0.08
    12   6    -0.10   0.15   0.03    -0.02   0.04  -0.02     0.07  -0.05  -0.07
    13   7    -0.08   0.09  -0.05    -0.03   0.04  -0.00    -0.06  -0.01   0.07
    14   1    -0.14  -0.22   0.06    -0.01  -0.03  -0.03    -0.13  -0.15   0.15
    15   1    -0.01  -0.15   0.09    -0.04   0.01   0.01     0.12  -0.08   0.16
    16   1    -0.10  -0.22  -0.06    -0.02  -0.02   0.04    -0.08  -0.21  -0.12
    17   1    -0.11  -0.09  -0.10    -0.01  -0.06   0.03    -0.14   0.08  -0.16
    18   1    -0.10   0.22   0.06    -0.02   0.02  -0.04     0.10  -0.26  -0.18
    19   1    -0.11   0.08   0.10    -0.00   0.06  -0.03     0.18   0.11  -0.21
    20   1    -0.14   0.22  -0.06    -0.01   0.03   0.03     0.17  -0.19   0.19
    21   1    -0.01   0.15  -0.09    -0.04  -0.01  -0.00    -0.18  -0.10   0.21
    22   1    -0.06   0.12   0.06     0.02  -0.02   0.07     0.08   0.03  -0.16
    23   1    -0.04   0.07   0.05    -0.02  -0.00   0.03     0.09   0.16   0.03
    24   1    -0.09   0.09  -0.03    -0.06   0.06   0.06    -0.10  -0.03   0.23
    25   1    -0.07   0.04  -0.05    -0.07   0.02  -0.03    -0.23  -0.01  -0.03
    26   1     0.10   0.05   0.00     0.12  -0.04  -0.21    -0.03  -0.00  -0.09
    27   1     0.12   0.08  -0.03     0.01  -0.25  -0.02    -0.00  -0.06  -0.03
    28   1    -0.09  -0.10   0.03    -0.06  -0.06  -0.06     0.08  -0.02   0.19
    29   1    -0.07  -0.04   0.05    -0.07  -0.02   0.03     0.18  -0.02  -0.01
    30   1    -0.06  -0.12  -0.06     0.01   0.02  -0.07    -0.06   0.00  -0.10
    31   1    -0.04  -0.07  -0.05    -0.02   0.00  -0.03    -0.05   0.10   0.01
    32   1     0.21   0.00  -0.00    -0.33   0.20  -0.14    -0.04   0.01  -0.02
    33   1     0.14  -0.05   0.01     0.00   0.34   0.15    -0.02   0.01   0.02
    34   1     0.14   0.05  -0.01     0.00  -0.34  -0.15     0.03   0.01   0.01
    35   1     0.21  -0.00   0.00    -0.33  -0.20   0.14     0.05   0.00  -0.02
    36   1     0.12  -0.07   0.03     0.01   0.25   0.02     0.01  -0.06  -0.03
    37   1     0.11  -0.05   0.00     0.12   0.04   0.21     0.04  -0.01  -0.08
                     13                     14                     15
                      A                      A                      A
 Frequencies --    305.3508               325.1912               332.0835
 Red. masses --      1.8025                 3.6329                 2.9190
 Frc consts  --      0.0990                 0.2263                 0.1897
 IR Inten    --      0.7339                 7.9894                 7.1555
 RamAct Fr= 1--      1.9791                 3.2405                 2.5950
  Dep-P Fr= 1--      0.0966                 0.7500                 0.7498
  Dep-U Fr= 1--      0.1761                 0.8571                 0.8570
 Alpha2 Fr= 1--      0.0349                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0581                 0.4629                 0.3707
 AlphaG Fr= 1--      0.0789                 0.0000                 0.0002
 Gamma2 Fr= 1--     -0.0983                -0.6692                -2.5450
 Delta2 Fr= 1--     -0.1217                -0.1807                -0.0102
 Raman1 Fr= 1--       7.916                 12.962                 10.380
 ROA1   Fr= 1--     -13.328                -70.029               -244.648
 CID1   Fr= 1--      -1.684                 -5.403                -23.569
 Raman2 Fr= 1--       0.697                  5.555                  4.448
 ROA2   Fr= 1--      -1.384                -14.617                -60.999
 CID2   Fr= 1--      -1.986                 -2.631                -13.714
 Raman3 Fr= 1--       1.394                 11.110                  8.896
 ROA3   Fr= 1--     -13.328                -70.029               -244.648
 CID3   Fr= 1--      -9.560                 -6.303                -27.501
 RC180  Fr= 1--      -0.648                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.00    -0.04  -0.01   0.00    -0.07  -0.08  -0.00
     2   6     0.04  -0.02   0.00     0.04  -0.02   0.00    -0.07   0.08   0.00
     3   7     0.03  -0.01   0.03     0.06   0.01  -0.06    -0.10  -0.02  -0.08
     4  45    -0.02  -0.00  -0.00    -0.00   0.10   0.00     0.09   0.00  -0.00
     5   7     0.03  -0.07   0.05    -0.01  -0.14  -0.00     0.01  -0.02  -0.05
     6   6    -0.02   0.05  -0.08    -0.08  -0.07  -0.07    -0.02  -0.02  -0.04
     7   6     0.05   0.02   0.09    -0.02  -0.08   0.07    -0.01  -0.05   0.03
     8   7    -0.06   0.00  -0.02    -0.08  -0.03   0.06    -0.08  -0.05  -0.03
     9   7     0.04   0.01  -0.02    -0.06   0.01  -0.06    -0.10   0.02   0.08
    10   7     0.02   0.07  -0.04     0.01  -0.14  -0.00     0.01   0.02   0.05
    11   6    -0.02  -0.03   0.06     0.08  -0.07  -0.07    -0.02   0.02   0.04
    12   6     0.03  -0.01  -0.07     0.02  -0.08   0.07    -0.01   0.05  -0.03
    13   7    -0.05   0.00   0.01     0.08  -0.03   0.06    -0.08   0.05   0.03
    14   1     0.15   0.17  -0.19     0.03  -0.01  -0.14     0.03  -0.01  -0.09
    15   1    -0.21   0.07  -0.20    -0.20  -0.04  -0.12    -0.09   0.03  -0.04
    16   1     0.06   0.21   0.19    -0.04   0.02   0.15     0.01   0.04   0.07
    17   1     0.17  -0.12   0.20     0.10  -0.14   0.08     0.03  -0.11   0.09
    18   1     0.04  -0.15  -0.15     0.04   0.02   0.15     0.01  -0.04  -0.07
    19   1     0.13   0.10  -0.15    -0.10  -0.15   0.08     0.03   0.11  -0.09
    20   1     0.11  -0.13   0.14    -0.03  -0.01  -0.14     0.03   0.01   0.08
    21   1    -0.17  -0.04   0.15     0.20  -0.04  -0.12    -0.08  -0.03   0.04
    22   1     0.05   0.11  -0.20    -0.02  -0.20   0.21     0.03  -0.01   0.08
    23   1     0.12   0.19   0.05    -0.12  -0.27  -0.11    -0.04   0.03   0.03
    24   1    -0.07  -0.02   0.10     0.09  -0.01  -0.01    -0.15   0.08   0.22
    25   1    -0.14   0.01  -0.05     0.14  -0.06   0.09    -0.24  -0.02  -0.07
    26   1     0.05   0.02  -0.04    -0.10   0.02  -0.18    -0.17  -0.01   0.25
    27   1     0.04  -0.01  -0.01    -0.04  -0.10  -0.05    -0.12   0.21   0.05
    28   1    -0.09   0.03  -0.15    -0.09  -0.01  -0.01    -0.15  -0.08  -0.22
    29   1    -0.20  -0.01   0.05    -0.14  -0.06   0.09    -0.24   0.01   0.07
    30   1     0.07  -0.11   0.24     0.02  -0.20   0.21     0.03   0.01  -0.07
    31   1     0.14  -0.22  -0.05     0.12  -0.27  -0.11    -0.04  -0.04  -0.03
    32   1     0.04   0.02  -0.02    -0.04  -0.02   0.01     0.07  -0.14   0.10
    33   1     0.04   0.02   0.02    -0.06  -0.03   0.04    -0.10  -0.20  -0.13
    34   1     0.04  -0.02  -0.03     0.06  -0.03   0.04    -0.10   0.20   0.13
    35   1     0.03  -0.03   0.02     0.04  -0.02   0.01     0.07   0.14  -0.10
    36   1     0.04   0.03   0.02     0.04  -0.10  -0.05    -0.12  -0.21  -0.05
    37   1     0.04  -0.02   0.07     0.10   0.02  -0.18    -0.17   0.01  -0.25
                     16                     17                     18
                      A                      A                      A
 Frequencies --    398.9203               403.0894               405.1945
 Red. masses --      4.0067                 4.1140                 4.8997
 Frc consts  --      0.3757                 0.3938                 0.4740
 IR Inten    --      1.0691                 0.8622                 3.4158
 RamAct Fr= 1--      0.8982                 3.9608                 4.9845
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7485
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8562
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.1283                 0.5658                 0.7113
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0035
 Gamma2 Fr= 1--     -0.3591                 0.8199                -2.2841
 Delta2 Fr= 1--     -0.0905                 0.0168                -0.0441
 Raman1 Fr= 1--       3.593                 15.843                 19.938
 ROA1   Fr= 1--     -37.372                 79.248               -220.681
 CID1   Fr= 1--     -10.403                  5.002                -11.068
 Raman2 Fr= 1--       1.540                  6.790                  8.535
 ROA2   Fr= 1--      -7.895                 19.544                -54.464
 CID2   Fr= 1--      -5.128                  2.878                 -6.381
 Raman3 Fr= 1--       3.079                 13.580                 17.070
 ROA3   Fr= 1--     -37.372                 79.248               -220.681
 CID3   Fr= 1--     -12.137                  5.836                -12.928
 RC180  Fr= 1--       0.714                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.02    -0.13   0.01  -0.09    -0.03   0.01  -0.00
     2   6     0.02   0.00  -0.02     0.13   0.01  -0.09    -0.02  -0.01  -0.00
     3   7     0.04   0.03  -0.02     0.21   0.11  -0.11    -0.02  -0.00   0.02
     4  45    -0.00   0.02   0.09    -0.00  -0.07   0.04     0.08  -0.00   0.00
     5   7     0.10   0.09  -0.09    -0.01  -0.01   0.02    -0.15  -0.12   0.14
     6   6     0.10   0.04  -0.04    -0.01   0.00  -0.01    -0.10  -0.07   0.03
     7   6     0.00  -0.12  -0.03     0.01   0.03   0.01    -0.00   0.11   0.02
     8   7    -0.04  -0.15  -0.09    -0.01   0.06   0.04     0.03   0.16   0.11
     9   7    -0.04   0.03  -0.02    -0.20   0.11  -0.11    -0.03   0.01  -0.03
    10   7    -0.10   0.09  -0.09     0.01  -0.02   0.02    -0.15   0.12  -0.14
    11   6    -0.09   0.04  -0.04     0.01  -0.00  -0.00    -0.10   0.07  -0.03
    12   6    -0.00  -0.12  -0.03    -0.01   0.03   0.01    -0.00  -0.11  -0.02
    13   7     0.04  -0.14  -0.08     0.01   0.07   0.05     0.03  -0.16  -0.11
    14   1     0.15   0.05  -0.08     0.00   0.02  -0.01    -0.13  -0.06   0.07
    15   1     0.01   0.16   0.01    -0.02  -0.01  -0.02    -0.03  -0.21  -0.05
    16   1     0.02  -0.17  -0.08     0.01   0.03   0.01    -0.03   0.12   0.05
    17   1    -0.14  -0.10   0.02     0.05   0.03  -0.02     0.13   0.12  -0.06
    18   1    -0.02  -0.16  -0.08    -0.01   0.04   0.01    -0.03  -0.13  -0.05
    19   1     0.14  -0.10   0.02    -0.05   0.04  -0.02     0.13  -0.12   0.06
    20   1    -0.14   0.05  -0.08     0.00   0.02  -0.01    -0.14   0.06  -0.07
    21   1    -0.01   0.15   0.01     0.02  -0.01  -0.02    -0.03   0.21   0.05
    22   1    -0.08   0.13  -0.24    -0.01   0.05  -0.07    -0.15   0.12  -0.15
    23   1     0.03   0.16  -0.00     0.10  -0.01   0.07    -0.18   0.18  -0.13
    24   1     0.10  -0.16  -0.26     0.01   0.09  -0.01     0.01  -0.12  -0.10
    25   1     0.18  -0.05   0.01     0.03   0.13   0.07     0.05  -0.22  -0.11
    26   1    -0.09   0.04  -0.15    -0.22   0.08   0.09    -0.05   0.01  -0.05
    27   1     0.03  -0.08  -0.00    -0.24   0.29  -0.13    -0.07  -0.01  -0.03
    28   1    -0.10  -0.17  -0.27    -0.01   0.09  -0.01     0.01   0.12   0.09
    29   1    -0.18  -0.06   0.01    -0.04   0.12   0.07     0.05   0.23   0.12
    30   1     0.08   0.13  -0.24     0.01   0.06  -0.08    -0.15  -0.11   0.14
    31   1    -0.03   0.16  -0.01    -0.10  -0.00   0.06    -0.19  -0.18   0.13
    32   1     0.00   0.00  -0.01    -0.17   0.05  -0.16    -0.04   0.01  -0.01
    33   1    -0.04  -0.02   0.01    -0.22  -0.00   0.10    -0.04   0.01   0.02
    34   1     0.04  -0.02   0.01     0.22   0.00   0.11    -0.02  -0.01  -0.02
    35   1     0.00   0.00  -0.01     0.17   0.05  -0.16    -0.03  -0.01  -0.00
    36   1    -0.02  -0.08  -0.00     0.24   0.29  -0.14    -0.06   0.02   0.03
    37   1     0.09   0.04  -0.15     0.22   0.08   0.08    -0.04  -0.01   0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.7618               464.1151               501.6388
 Red. masses --      3.8961                 4.1288                 4.1520
 Frc consts  --      0.4873                 0.5240                 0.6156
 IR Inten    --      6.4781                 8.0974                 0.0324
 RamAct Fr= 1--      4.8561                 5.0511                48.6426
  Dep-P Fr= 1--      0.7499                 0.7499                 0.0028
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0055
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.0740
 Beta2  Fr= 1--      0.6937                 0.7215                 0.0449
 AlphaG Fr= 1--      0.0013                -0.0000                 0.1778
 Gamma2 Fr= 1--      0.6897                 1.4458                -0.8388
 Delta2 Fr= 1--     -0.0618                -0.1563                 0.0653
 Raman1 Fr= 1--      19.424                 20.204                194.570
 ROA1   Fr= 1--      64.233                133.793                -78.436
 CID1   Fr= 1--       3.307                  6.622                 -0.403
 Raman2 Fr= 1--       8.324                  8.659                  0.539
 ROA2   Fr= 1--      17.048                 35.948                -20.654
 CID2   Fr= 1--       2.048                  4.152                -38.344
 Raman3 Fr= 1--      16.649                 17.317                  1.077
 ROA3   Fr= 1--      64.233                133.793                -78.436
 CID3   Fr= 1--       3.858                  7.726                -72.810
 RC180  Fr= 1--       0.714                  0.714                 -0.989
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.01    -0.02  -0.00  -0.01    -0.01  -0.02   0.01
     2   6    -0.03   0.03  -0.01     0.02  -0.00  -0.01    -0.01   0.02  -0.01
     3   7     0.09   0.14  -0.20     0.04   0.03  -0.02     0.08   0.11  -0.14
     4  45    -0.03   0.00  -0.00    -0.00   0.03   0.01     0.00  -0.00   0.00
     5   7     0.06  -0.01  -0.09    -0.16  -0.02   0.19    -0.12  -0.03   0.15
     6   6    -0.04  -0.03  -0.01     0.00   0.01   0.03    -0.01   0.01   0.02
     7   6    -0.00   0.02   0.02     0.01   0.04  -0.03     0.00   0.02  -0.01
     8   7    -0.04   0.11   0.10     0.06  -0.12  -0.18     0.04  -0.13  -0.16
     9   7     0.10  -0.14   0.20    -0.04   0.03  -0.02     0.08  -0.11   0.14
    10   7     0.05   0.01   0.09     0.16  -0.02   0.19    -0.12   0.03  -0.15
    11   6    -0.04   0.03   0.01    -0.01   0.01   0.03    -0.01  -0.01  -0.02
    12   6    -0.00  -0.03  -0.02    -0.01   0.04  -0.03     0.00  -0.02   0.01
    13   7    -0.03  -0.11  -0.10    -0.06  -0.12  -0.18     0.04   0.13   0.16
    14   1    -0.08  -0.07   0.01    -0.01   0.04   0.05    -0.00   0.03   0.04
    15   1     0.01   0.01   0.07     0.02  -0.12  -0.08    -0.00  -0.09  -0.07
    16   1    -0.02   0.06   0.06     0.04   0.08  -0.03     0.03   0.08  -0.00
    17   1     0.10   0.03  -0.03    -0.07  -0.04   0.10    -0.05  -0.06   0.11
    18   1    -0.02  -0.06  -0.06    -0.04   0.08  -0.03     0.03  -0.08   0.00
    19   1     0.10  -0.02   0.03     0.07  -0.04   0.10    -0.05   0.06  -0.11
    20   1    -0.08   0.07  -0.01     0.00   0.04   0.05    -0.00  -0.04  -0.04
    21   1     0.01  -0.01  -0.07    -0.02  -0.11  -0.08    -0.00   0.09   0.07
    22   1     0.10  -0.00  -0.01     0.23  -0.08   0.13    -0.15   0.03  -0.06
    23   1     0.16   0.03   0.15     0.21  -0.02   0.21    -0.18   0.01  -0.18
    24   1    -0.00  -0.16  -0.14    -0.06  -0.20  -0.07     0.07   0.17   0.03
    25   1    -0.00  -0.08  -0.08    -0.12  -0.21  -0.23     0.11   0.20   0.22
    26   1     0.15  -0.15   0.32    -0.06   0.03  -0.03     0.10  -0.11   0.19
    27   1     0.17  -0.01   0.19    -0.03   0.02  -0.02     0.11  -0.03   0.14
    28   1    -0.00   0.16   0.14     0.06  -0.20  -0.07     0.07  -0.17  -0.03
    29   1    -0.00   0.08   0.08     0.12  -0.21  -0.23     0.11  -0.20  -0.22
    30   1     0.10   0.01   0.01    -0.23  -0.08   0.13    -0.15  -0.03   0.06
    31   1     0.16  -0.03  -0.15    -0.21  -0.02   0.21    -0.18  -0.01   0.18
    32   1    -0.06  -0.04   0.03    -0.01   0.01  -0.02    -0.06  -0.02   0.01
    33   1     0.09   0.07  -0.10    -0.04  -0.01   0.02     0.08   0.07  -0.06
    34   1     0.09  -0.07   0.10     0.04  -0.01   0.02     0.08  -0.07   0.06
    35   1    -0.06   0.04  -0.03     0.01   0.01  -0.02    -0.06   0.02  -0.01
    36   1     0.17   0.01  -0.19     0.03   0.02  -0.02     0.11   0.03  -0.13
    37   1     0.15   0.15  -0.32     0.06   0.03  -0.03     0.10   0.11  -0.19
                     22                     23                     24
                      A                      A                      A
 Frequencies --    536.8886               543.5647               554.4367
 Red. masses --      1.6846                 1.7181                 1.7983
 Frc consts  --      0.2861                 0.2991                 0.3257
 IR Inten    --      2.7066                 2.4561                 1.6797
 RamAct Fr= 1--      0.8136                 0.1885                 0.0843
  Dep-P Fr= 1--      0.2506                 0.7497                 0.7496
  Dep-U Fr= 1--      0.4007                 0.8570                 0.8569
 Alpha2 Fr= 1--      0.0096                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0543                 0.0269                 0.0120
 AlphaG Fr= 1--     -0.0176                 0.0000                -0.0000
 Gamma2 Fr= 1--      0.7621                -0.4239                 0.1703
 Delta2 Fr= 1--      0.4892                -0.1173                 0.1107
 Raman1 Fr= 1--       3.254                  0.754                  0.337
 ROA1   Fr= 1--      88.820                -44.454                 19.894
 CID1   Fr= 1--      27.293                -58.949                 59.028
 Raman2 Fr= 1--       0.652                  0.323                  0.144
 ROA2   Fr= 1--      14.378                 -9.236                  3.203
 CID2   Fr= 1--      22.050                -28.584                 22.180
 Raman3 Fr= 1--       1.304                  0.646                  0.289
 ROA3   Fr= 1--      88.820                -44.454                 19.894
 CID3   Fr= 1--      68.106                -68.789                 68.887
 RC180  Fr= 1--      -0.199                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.08   0.01   0.09    -0.01  -0.00  -0.01
     2   6     0.00   0.00  -0.00    -0.08   0.01   0.08     0.01  -0.00  -0.01
     3   7     0.02   0.02  -0.03     0.00   0.08  -0.08    -0.01  -0.02   0.02
     4  45    -0.01   0.00  -0.00     0.00  -0.02  -0.00    -0.00   0.01  -0.03
     5   7    -0.03   0.02   0.07    -0.01  -0.01   0.02    -0.04   0.01   0.08
     6   6     0.08   0.03  -0.02     0.00   0.00  -0.00     0.08   0.02  -0.02
     7   6     0.02  -0.08  -0.02     0.00  -0.00  -0.00     0.02  -0.09  -0.01
     8   7    -0.03   0.02   0.07     0.01   0.02   0.02    -0.03   0.02   0.07
     9   7     0.02  -0.02   0.03    -0.00   0.08  -0.08     0.01  -0.02   0.01
    10   7    -0.03  -0.02  -0.07     0.01  -0.01   0.03     0.04   0.01   0.08
    11   6     0.08  -0.03   0.02    -0.01   0.00  -0.00    -0.08   0.02  -0.02
    12   6     0.02   0.08   0.02    -0.00  -0.00  -0.00    -0.02  -0.09  -0.01
    13   7    -0.03  -0.02  -0.07    -0.01   0.02   0.02     0.03   0.02   0.07
    14   1     0.24   0.13  -0.14     0.04   0.03  -0.02     0.26   0.13  -0.14
    15   1    -0.13   0.07  -0.14    -0.03  -0.00  -0.03    -0.15   0.06  -0.16
    16   1     0.01  -0.28  -0.13    -0.01  -0.04  -0.02     0.02  -0.29  -0.13
    17   1    -0.13   0.08  -0.14    -0.01   0.03  -0.04    -0.13   0.08  -0.14
    18   1     0.01   0.28   0.13     0.01  -0.04  -0.02    -0.02  -0.29  -0.13
    19   1    -0.12  -0.08   0.14     0.01   0.03  -0.04     0.13   0.08  -0.14
    20   1     0.24  -0.12   0.14    -0.04   0.03  -0.02    -0.26   0.13  -0.15
    21   1    -0.12  -0.07   0.14     0.03  -0.00  -0.03     0.15   0.06  -0.16
    22   1    -0.10  -0.01   0.10     0.01   0.05  -0.10     0.10   0.00  -0.10
    23   1    -0.17  -0.08  -0.15     0.12   0.02   0.09     0.17   0.08   0.16
    24   1    -0.07  -0.07   0.15     0.01   0.01  -0.03     0.04   0.09  -0.06
    25   1    -0.18  -0.14  -0.18     0.03   0.05   0.05     0.12   0.06   0.13
    26   1     0.00  -0.01  -0.02    -0.02   0.11  -0.31     0.03  -0.04   0.13
    27   1     0.05  -0.05   0.04    -0.06  -0.17  -0.06    -0.03   0.09  -0.00
    28   1    -0.07   0.07  -0.15    -0.01   0.01  -0.03    -0.04   0.09  -0.06
    29   1    -0.18   0.14   0.18    -0.02   0.05   0.05    -0.12   0.05   0.13
    30   1    -0.10   0.01  -0.10    -0.01   0.05  -0.10    -0.10   0.00  -0.10
    31   1    -0.17   0.08   0.15    -0.12   0.02   0.08    -0.17   0.07   0.16
    32   1    -0.00  -0.00   0.00     0.33  -0.10   0.27    -0.06   0.02  -0.04
    33   1     0.02   0.01  -0.01    -0.01  -0.26  -0.13     0.02   0.06   0.02
    34   1     0.02  -0.01   0.01     0.01  -0.26  -0.13    -0.02   0.06   0.02
    35   1    -0.00   0.00  -0.00    -0.33  -0.11   0.27     0.06   0.02  -0.04
    36   1     0.05   0.05  -0.04     0.06  -0.17  -0.06     0.03   0.09  -0.00
    37   1     0.00   0.01   0.02     0.02   0.11  -0.31    -0.03  -0.04   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --    683.7310               691.0945               713.7975
 Red. masses --      1.2952                 1.2974                 1.3007
 Frc consts  --      0.3567                 0.3651                 0.3905
 IR Inten    --      2.5754                 0.0341                 0.5316
 RamAct Fr= 1--      0.4759                 1.8505                 0.8216
  Dep-P Fr= 1--      0.7498                 0.0471                 0.5660
  Dep-U Fr= 1--      0.8570                 0.0899                 0.7229
 Alpha2 Fr= 1--      0.0000                 0.0368                 0.0029
 Beta2  Fr= 1--      0.0680                 0.0277                 0.0990
 AlphaG Fr= 1--     -0.0000                -0.0031                -0.1002
 Gamma2 Fr= 1--      2.3876                 2.1209                -3.0297
 Delta2 Fr= 1--     -0.0643                -0.1047                 0.2493
 Raman1 Fr= 1--       1.904                  7.402                  3.287
 ROA1   Fr= 1--     227.152                200.257               -282.873
 CID1   Fr= 1--     119.317                 27.055                -86.070
 Raman2 Fr= 1--       0.816                  0.333                  1.188
 ROA2   Fr= 1--      57.817                 51.739                -74.707
 CID2   Fr= 1--      70.872                155.553                -62.891
 Raman3 Fr= 1--       1.632                  0.665                  2.376
 ROA3   Fr= 1--     227.152                200.257               -282.873
 CID3   Fr= 1--     139.222                301.034               -119.068
 RC180  Fr= 1--       0.714                 -0.820                  0.446
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.02   0.00   0.01    -0.00   0.01   0.01
     2   6    -0.01  -0.00   0.01    -0.02  -0.00  -0.01    -0.00  -0.01  -0.01
     3   7    -0.01  -0.01  -0.02    -0.01  -0.05  -0.07    -0.01  -0.04  -0.04
     4  45    -0.00   0.01   0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7     0.05  -0.03   0.01    -0.03   0.02  -0.01     0.05  -0.04   0.02
     6   6     0.00  -0.02  -0.01    -0.01   0.00  -0.01    -0.00  -0.02  -0.00
     7   6    -0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.02  -0.00   0.00
     8   7    -0.07   0.02  -0.03     0.04  -0.02   0.01    -0.05   0.02  -0.01
     9   7     0.01  -0.01  -0.02    -0.01   0.05   0.07    -0.01   0.04   0.04
    10   7    -0.05  -0.03   0.01    -0.03  -0.02   0.01     0.05   0.04  -0.02
    11   6    -0.00  -0.02  -0.01    -0.01  -0.00   0.01    -0.00   0.02   0.00
    12   6     0.01  -0.00  -0.00     0.01  -0.01   0.01    -0.02   0.00  -0.00
    13   7     0.07   0.02  -0.03     0.04   0.02  -0.01    -0.05  -0.02   0.01
    14   1     0.05   0.05  -0.01    -0.08  -0.06   0.03     0.05   0.06  -0.02
    15   1    -0.05   0.01  -0.02     0.08  -0.02   0.04    -0.08   0.01  -0.04
    16   1     0.03   0.12   0.02    -0.02  -0.01   0.01     0.01   0.09   0.03
    17   1     0.06  -0.08   0.06    -0.00   0.01  -0.01     0.05  -0.06   0.03
    18   1    -0.03   0.12   0.02    -0.02   0.01  -0.01     0.01  -0.09  -0.03
    19   1    -0.06  -0.08   0.06    -0.00  -0.01   0.01     0.05   0.06  -0.04
    20   1    -0.05   0.05  -0.01    -0.08   0.06  -0.03     0.05  -0.06   0.02
    21   1     0.05   0.01  -0.02     0.08   0.02  -0.04    -0.08  -0.01   0.04
    22   1    -0.05   0.09  -0.27    -0.03   0.07  -0.18     0.07  -0.12   0.29
    23   1     0.21   0.04   0.15     0.14   0.04   0.12    -0.22  -0.06  -0.17
    24   1    -0.10   0.13   0.34    -0.04   0.08   0.18     0.05  -0.09  -0.23
    25   1    -0.19  -0.21  -0.21    -0.08  -0.12  -0.10     0.13   0.13   0.14
    26   1     0.04  -0.03   0.10    -0.09   0.10  -0.35    -0.05   0.07  -0.24
    27   1    -0.07   0.09  -0.04     0.17  -0.33   0.13     0.10  -0.24   0.09
    28   1     0.10   0.14   0.34    -0.04  -0.07  -0.18     0.05   0.09   0.23
    29   1     0.19  -0.21  -0.22    -0.08   0.12   0.10     0.13  -0.13  -0.14
    30   1     0.05   0.09  -0.27    -0.03  -0.07   0.18     0.07   0.12  -0.28
    31   1    -0.21   0.04   0.15     0.14  -0.04  -0.11    -0.22   0.06   0.17
    32   1    -0.01  -0.01   0.03     0.11  -0.02   0.03     0.09  -0.01   0.03
    33   1     0.02   0.00   0.00    -0.03  -0.08  -0.07    -0.03  -0.06  -0.04
    34   1    -0.02   0.00   0.00    -0.04   0.08   0.07    -0.03   0.06   0.04
    35   1     0.01  -0.01   0.03     0.11   0.02  -0.03     0.09   0.01  -0.03
    36   1     0.07   0.08  -0.04     0.17   0.34  -0.14     0.10   0.25  -0.09
    37   1    -0.03  -0.03   0.10    -0.09  -0.10   0.35    -0.05  -0.07   0.25
                     28                     29                     30
                      A                      A                      A
 Frequencies --    720.9487               754.9434               772.1579
 Red. masses --      1.4475                 1.4147                 1.4460
 Frc consts  --      0.4433                 0.4750                 0.5080
 IR Inten    --      7.3762                 8.1455                17.6844
 RamAct Fr= 1--      0.0834                 0.8735                 0.7678
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7468
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8550
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0119                 0.1248                 0.1094
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0007
 Gamma2 Fr= 1--     -0.3010                 1.6816                -1.3619
 Delta2 Fr= 1--     -0.0221                 0.1460                 0.0189
 Raman1 Fr= 1--       0.334                  3.494                  3.071
 ROA1   Fr= 1--     -29.603                166.104               -130.138
 CID1   Fr= 1--     -88.738                 47.541                -42.376
 Raman2 Fr= 1--       0.143                  1.497                  1.313
 ROA2   Fr= 1--      -7.047                 39.190                -32.837
 CID2   Fr= 1--     -49.294                 26.172                -25.011
 Raman3 Fr= 1--       0.286                  2.995                  2.626
 ROA3   Fr= 1--     -29.603                166.104               -130.138
 CID3   Fr= 1--    -103.530                 55.464                -49.561
 RC180  Fr= 1--       0.714                  0.714                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.02   0.01     0.02   0.01   0.04     0.01   0.00  -0.00
     2   6    -0.02   0.02   0.01    -0.02   0.01   0.04     0.01  -0.00   0.00
     3   7     0.01  -0.01  -0.04    -0.03  -0.05  -0.08     0.00   0.01   0.00
     4  45     0.00  -0.01   0.01    -0.00   0.01   0.01    -0.02  -0.00  -0.00
     5   7    -0.05   0.07  -0.02     0.01   0.00  -0.00     0.06  -0.04   0.01
     6   6     0.04   0.01  -0.01    -0.02  -0.00  -0.01    -0.03   0.00  -0.01
     7   6     0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.01   0.04  -0.01
     8   7    -0.06   0.01  -0.01     0.04  -0.03   0.00     0.07  -0.03   0.02
     9   7    -0.01  -0.01  -0.04     0.03  -0.05  -0.08     0.00  -0.01  -0.00
    10   7     0.05   0.07  -0.02    -0.01   0.00  -0.00     0.06   0.04  -0.01
    11   6    -0.04   0.01  -0.01     0.02  -0.00  -0.01    -0.03  -0.00   0.01
    12   6    -0.02  -0.03  -0.01     0.00   0.01  -0.01    -0.01  -0.04   0.01
    13   7     0.06   0.01  -0.01    -0.04  -0.03   0.00     0.07   0.03  -0.02
    14   1     0.06  -0.06  -0.06    -0.09  -0.03   0.04    -0.13   0.03   0.10
    15   1     0.01   0.04   0.01     0.06  -0.02   0.03     0.06  -0.05   0.01
    16   1     0.07  -0.07  -0.07    -0.04   0.03   0.04    -0.09   0.09   0.10
    17   1    -0.05  -0.00  -0.01     0.03  -0.01   0.00     0.07  -0.01   0.01
    18   1    -0.06  -0.07  -0.07     0.04   0.03   0.04    -0.09  -0.09  -0.10
    19   1     0.05  -0.00  -0.01    -0.03  -0.01   0.00     0.07   0.01  -0.01
    20   1    -0.06  -0.06  -0.06     0.09  -0.03   0.04    -0.13  -0.03  -0.10
    21   1    -0.01   0.04   0.01    -0.06  -0.02   0.03     0.06   0.05  -0.01
    22   1     0.11  -0.17   0.34    -0.03   0.03  -0.02     0.10  -0.14   0.28
    23   1    -0.27  -0.03  -0.20     0.04  -0.03   0.01    -0.23  -0.01  -0.16
    24   1    -0.07   0.15   0.22     0.04  -0.08  -0.17    -0.08   0.17   0.30
    25   1    -0.10  -0.16  -0.12     0.08   0.11   0.10    -0.14  -0.21  -0.18
    26   1     0.07  -0.02   0.09     0.13  -0.10   0.35     0.00  -0.01   0.04
    27   1    -0.08   0.09  -0.06    -0.24   0.35  -0.16    -0.02   0.04  -0.01
    28   1     0.07   0.15   0.22    -0.04  -0.08  -0.17    -0.08  -0.17  -0.30
    29   1     0.10  -0.16  -0.12    -0.08   0.11   0.10    -0.14   0.21   0.18
    30   1    -0.11  -0.17   0.34     0.03   0.03  -0.02     0.10   0.14  -0.28
    31   1     0.27  -0.03  -0.20    -0.04  -0.03   0.01    -0.23   0.01   0.16
    32   1     0.08  -0.03   0.11     0.01  -0.05   0.16    -0.01   0.00  -0.01
    33   1    -0.01  -0.07  -0.07     0.04  -0.01  -0.05     0.01   0.01   0.01
    34   1     0.01  -0.07  -0.07    -0.04  -0.01  -0.05     0.01  -0.01  -0.01
    35   1    -0.08  -0.03   0.11    -0.01  -0.05   0.16    -0.01  -0.00   0.01
    36   1     0.08   0.09  -0.06     0.24   0.35  -0.16    -0.02  -0.04   0.01
    37   1    -0.07  -0.02   0.09    -0.13  -0.10   0.35     0.00   0.01  -0.04
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2216               866.9085               867.4157
 Red. masses --      3.1238                 3.1664                 2.7772
 Frc consts  --      1.3810                 1.4020                 1.2312
 IR Inten    --     10.8397                 8.7066                 2.8453
 RamAct Fr= 1--      0.4894                 1.4393                 4.9495
  Dep-P Fr= 1--      0.7500                 0.7478                 0.2008
  Dep-U Fr= 1--      0.8571                 0.8557                 0.3345
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0671
 Beta2  Fr= 1--      0.0699                 0.2053                 0.2759
 AlphaG Fr= 1--      0.0000                 0.0012                -0.0155
 Gamma2 Fr= 1--      0.9738                 0.6178                 1.1051
 Delta2 Fr= 1--      1.1200                 0.5512                -0.1911
 Raman1 Fr= 1--       1.958                  5.757                 19.798
 ROA1   Fr= 1--     129.320                 76.949                 99.975
 CID1   Fr= 1--      66.063                 13.365                  5.050
 Raman2 Fr= 1--       0.839                  2.463                  3.311
 ROA2   Fr= 1--      14.411                 10.419                 28.051
 CID2   Fr= 1--      17.177                  4.230                  8.472
 Raman3 Fr= 1--       1.678                  4.927                  6.622
 ROA3   Fr= 1--     129.320                 76.949                 99.975
 CID3   Fr= 1--      77.073                 15.619                 15.098
 RC180  Fr= 1--       0.714                  0.711                 -0.331
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.02     0.15   0.02   0.12    -0.04  -0.01  -0.03
     2   6    -0.01   0.04  -0.02     0.15  -0.02  -0.12    -0.04   0.01   0.03
     3   7     0.04  -0.03   0.01    -0.11   0.06  -0.06     0.03  -0.01   0.02
     4  45    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.11  -0.07    -0.03  -0.09  -0.07     0.00   0.02   0.03
     6   6     0.15   0.06  -0.00     0.10   0.05   0.02     0.10   0.02  -0.10
     7   6    -0.03   0.16   0.03    -0.02   0.11   0.04    -0.00   0.09  -0.09
     8   7    -0.06  -0.06   0.05    -0.03  -0.03   0.02    -0.11  -0.10   0.10
     9   7    -0.03  -0.03   0.01    -0.11  -0.05   0.06     0.03   0.01  -0.02
    10   7     0.03  -0.12  -0.08    -0.02   0.08   0.06     0.00  -0.02  -0.04
    11   6    -0.16   0.06  -0.00     0.09  -0.04  -0.02     0.10  -0.02   0.10
    12   6     0.03   0.17   0.04    -0.02  -0.09  -0.04    -0.00  -0.09   0.09
    13   7     0.06  -0.06   0.05    -0.02   0.02  -0.01    -0.11   0.10  -0.10
    14   1     0.08  -0.03   0.02     0.09  -0.02  -0.01    -0.15  -0.07   0.11
    15   1     0.25  -0.09  -0.07     0.13  -0.03  -0.04     0.43  -0.16  -0.05
    16   1    -0.05  -0.02  -0.05    -0.02  -0.07  -0.06    -0.07   0.23   0.07
    17   1    -0.28   0.24   0.07    -0.24   0.20   0.05     0.09  -0.06   0.05
    18   1     0.06  -0.02  -0.05    -0.02   0.06   0.05    -0.07  -0.23  -0.07
    19   1     0.29   0.25   0.07    -0.22  -0.18  -0.04     0.09   0.07  -0.05
    20   1    -0.08  -0.03   0.02     0.09   0.02   0.01    -0.15   0.07  -0.11
    21   1    -0.26  -0.09  -0.08     0.10   0.02   0.03     0.43   0.16   0.05
    22   1     0.10  -0.18  -0.15    -0.05   0.11   0.08    -0.09   0.10  -0.03
    23   1     0.07  -0.07  -0.04    -0.03   0.05   0.05    -0.04   0.03  -0.04
    24   1     0.11  -0.19   0.09    -0.05   0.10  -0.04    -0.07   0.07  -0.21
    25   1     0.03  -0.09   0.04    -0.01   0.06  -0.00     0.01   0.03  -0.05
    26   1     0.02  -0.03   0.05    -0.10  -0.04  -0.02     0.03   0.00   0.01
    27   1    -0.00  -0.00   0.01    -0.22  -0.14   0.05     0.05   0.04  -0.02
    28   1    -0.10  -0.19   0.09    -0.06  -0.12   0.05    -0.07  -0.07   0.21
    29   1    -0.03  -0.08   0.03    -0.02  -0.06   0.01     0.01  -0.03   0.05
    30   1    -0.09  -0.17  -0.14    -0.06  -0.13  -0.09    -0.09  -0.10   0.03
    31   1    -0.06  -0.06  -0.04    -0.03  -0.06  -0.05    -0.04  -0.03   0.04
    32   1     0.07  -0.03   0.09    -0.01   0.06   0.05    -0.01  -0.02  -0.01
    33   1    -0.02  -0.05  -0.14     0.07   0.05   0.37    -0.01  -0.01  -0.09
    34   1     0.01  -0.04  -0.11     0.07  -0.04  -0.36    -0.01   0.00   0.08
    35   1    -0.07  -0.02   0.10    -0.01  -0.06  -0.06    -0.01   0.02   0.01
    36   1     0.02  -0.01   0.01    -0.22   0.14  -0.06     0.05  -0.04   0.02
    37   1    -0.01  -0.03   0.05    -0.11   0.04   0.02     0.03  -0.01  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.8980               870.1582               875.9344
 Red. masses --      2.9020                 2.5180                 2.4938
 Frc consts  --      1.2909                 1.1233                 1.1273
 IR Inten    --      1.7552                 0.4588                 1.2362
 RamAct Fr= 1--      6.3782                 3.0616                 0.3038
  Dep-P Fr= 1--      0.0921                 0.7475                 0.7499
  Dep-U Fr= 1--      0.1686                 0.8555                 0.8571
 Alpha2 Fr= 1--      0.1139                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1793                 0.4365                 0.0434
 AlphaG Fr= 1--     -0.0064                -0.0001                 0.0000
 Gamma2 Fr= 1--     -1.0699                -1.3319                 0.2788
 Delta2 Fr= 1--     -1.6874                -0.7308                -0.0106
 Raman1 Fr= 1--      25.513                 12.247                  1.215
 ROA1   Fr= 1--    -156.711               -151.246                 26.431
 CID1   Fr= 1--      -6.142                -12.350                 21.753
 Raman2 Fr= 1--       2.151                  5.238                  0.521
 ROA2   Fr= 1--     -12.179                -26.119                  6.777
 CID2   Fr= 1--      -5.661                 -4.986                 13.014
 Raman3 Fr= 1--       4.303                 10.477                  1.041
 ROA3   Fr= 1--    -156.711               -151.246                 26.431
 CID3   Fr= 1--     -36.423                -14.436                 25.380
 RC180  Fr= 1--      -0.663                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11   0.01   0.09    -0.01  -0.13   0.07    -0.00  -0.04   0.03
     2   6     0.11  -0.02  -0.08     0.00  -0.13   0.08    -0.00  -0.04   0.03
     3   7    -0.09   0.05  -0.03    -0.11   0.10  -0.07    -0.04   0.02  -0.04
     4  45     0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00   0.00   0.01
     5   7     0.03   0.12   0.08    -0.01   0.01   0.00    -0.03  -0.08  -0.08
     6   6    -0.07  -0.04  -0.06     0.04   0.02  -0.04    -0.02   0.01   0.11
     7   6     0.03  -0.10  -0.08     0.00   0.04  -0.02    -0.01  -0.01   0.11
     8   7    -0.01   0.00   0.02    -0.04  -0.04   0.04     0.06   0.07  -0.09
     9   7    -0.08  -0.04   0.03     0.12   0.10  -0.07     0.04   0.02  -0.04
    10   7     0.03  -0.12  -0.09     0.01   0.02   0.00     0.03  -0.08  -0.08
    11   6    -0.08   0.04   0.06    -0.04   0.02  -0.04     0.02   0.01   0.11
    12   6     0.03   0.10   0.08    -0.00   0.04  -0.03     0.01  -0.01   0.11
    13   7    -0.01  -0.00  -0.01     0.04  -0.04   0.04    -0.06   0.07  -0.09
    14   1    -0.17  -0.02   0.05    -0.07  -0.06   0.04     0.24   0.05  -0.13
    15   1     0.03  -0.02   0.04     0.19  -0.05  -0.00    -0.32   0.14   0.02
    16   1    -0.00   0.14   0.09    -0.03   0.04   0.01     0.09  -0.22  -0.12
    17   1     0.30  -0.25  -0.04    -0.01   0.01   0.01    -0.25   0.17   0.01
    18   1     0.00  -0.14  -0.09     0.03   0.04   0.01    -0.09  -0.22  -0.12
    19   1     0.30   0.25   0.04    -0.00   0.01   0.01     0.25   0.17   0.01
    20   1    -0.17   0.01  -0.05     0.07  -0.06   0.04    -0.24   0.05  -0.13
    21   1     0.02   0.01  -0.04    -0.19  -0.05  -0.00     0.32   0.14   0.02
    22   1     0.03  -0.10  -0.15     0.04  -0.05   0.06    -0.03  -0.02  -0.06
    23   1     0.03  -0.03  -0.05    -0.00  -0.05  -0.03    -0.04  -0.01  -0.09
    24   1     0.05  -0.13  -0.02     0.03  -0.02   0.06    -0.04   0.01  -0.07
    25   1     0.02  -0.05  -0.01     0.02  -0.03   0.03    -0.04  -0.02  -0.10
    26   1    -0.09  -0.04   0.02    -0.01   0.09  -0.08     0.00   0.01   0.03
    27   1    -0.17  -0.06   0.02     0.01   0.10  -0.09    -0.02   0.10  -0.06
    28   1     0.04   0.13   0.02    -0.03  -0.02   0.06     0.04   0.01  -0.07
    29   1     0.02   0.05   0.01    -0.02  -0.03   0.03     0.04  -0.02  -0.10
    30   1     0.03   0.10   0.15    -0.04  -0.05   0.06     0.03  -0.02  -0.06
    31   1     0.03   0.02   0.05     0.00  -0.05  -0.03     0.04  -0.01  -0.09
    32   1    -0.05   0.05   0.02    -0.22   0.07  -0.29    -0.08   0.01  -0.05
    33   1     0.06   0.06   0.31     0.05   0.15   0.41     0.02   0.05   0.12
    34   1     0.06  -0.05  -0.28    -0.06   0.15   0.44    -0.02   0.05   0.13
    35   1    -0.03  -0.04  -0.04     0.22   0.07  -0.29     0.08   0.01  -0.05
    36   1    -0.17   0.07  -0.03     0.00   0.09  -0.08     0.02   0.09  -0.06
    37   1    -0.09   0.05  -0.02     0.02   0.08  -0.08    -0.00   0.01   0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.0490               982.9576               983.3173
 Red. masses --      2.2022                 2.2255                 2.2179
 Frc consts  --      1.2488                 1.2669                 1.2635
 IR Inten    --      9.7356                 1.1075                 0.0123
 RamAct Fr= 1--      0.7874                 4.3904                 4.5528
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1125                 0.6272                 0.6504
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0003
 Gamma2 Fr= 1--      0.1432                 0.4339                 0.6397
 Delta2 Fr= 1--     -0.3754                 0.5935                -1.5272
 Raman1 Fr= 1--       3.150                 17.562                 18.211
 ROA1   Fr= 1--       1.735                 60.650                 12.542
 CID1   Fr= 1--       0.551                  3.454                  0.689
 Raman2 Fr= 1--       1.350                  7.526                  7.804
 ROA2   Fr= 1--       6.441                  5.667                 27.571
 CID2   Fr= 1--       4.772                  0.753                  3.533
 Raman3 Fr= 1--       2.700                 15.053                 15.608
 ROA3   Fr= 1--       1.735                 60.650                 12.542
 CID3   Fr= 1--       0.643                  4.029                  0.804
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.00  -0.00    -0.20  -0.01  -0.00     0.00  -0.00   0.00
     2   6     0.06  -0.00  -0.00     0.20  -0.01   0.00     0.00   0.00  -0.00
     3   7    -0.03   0.01   0.00    -0.09   0.02  -0.01    -0.00  -0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   7    -0.03  -0.06  -0.02     0.01   0.02   0.00     0.04   0.06   0.02
     6   6     0.07   0.12  -0.00    -0.02  -0.04   0.01    -0.08  -0.13  -0.00
     7   6    -0.07  -0.12   0.01     0.01   0.03  -0.01     0.07   0.13  -0.00
     8   7     0.03   0.06  -0.02    -0.01  -0.02   0.01    -0.03  -0.06   0.02
     9   7     0.02   0.01   0.00     0.09   0.02  -0.01    -0.00   0.00  -0.00
    10   7     0.03  -0.06  -0.02    -0.01   0.02   0.00     0.04  -0.06  -0.02
    11   6    -0.07   0.12   0.00     0.02  -0.04   0.01    -0.08   0.12   0.00
    12   6     0.07  -0.12   0.01    -0.01   0.04  -0.01     0.07  -0.13   0.00
    13   7    -0.03   0.06  -0.02     0.01  -0.02   0.01    -0.03   0.06  -0.02
    14   1    -0.16   0.01   0.17     0.07   0.03  -0.05     0.15  -0.01  -0.17
    15   1     0.25   0.12   0.14    -0.10  -0.04  -0.06    -0.26  -0.14  -0.15
    16   1    -0.09   0.12   0.17     0.03   0.01  -0.04     0.08  -0.14  -0.17
    17   1     0.02  -0.26   0.14     0.02   0.05  -0.03    -0.02   0.29  -0.16
    18   1     0.09   0.12   0.17    -0.03   0.01  -0.04     0.08   0.13   0.17
    19   1    -0.02  -0.27   0.14    -0.02   0.05  -0.03    -0.02  -0.29   0.16
    20   1     0.16   0.01   0.18    -0.07   0.03  -0.05     0.14   0.01   0.17
    21   1    -0.25   0.12   0.14     0.10  -0.04  -0.06    -0.25   0.13   0.15
    22   1     0.12  -0.16  -0.04    -0.02   0.03  -0.01     0.12  -0.16  -0.03
    23   1     0.09  -0.09  -0.00    -0.05   0.07   0.01     0.10  -0.10  -0.01
    24   1    -0.08   0.19  -0.05     0.03  -0.08   0.02    -0.08   0.19  -0.03
    25   1    -0.02   0.11  -0.00    -0.01  -0.00   0.00    -0.04   0.14  -0.01
    26   1     0.06   0.01   0.00     0.19   0.03   0.05     0.00   0.00  -0.00
    27   1     0.07   0.01   0.01     0.26   0.06   0.01     0.01  -0.01   0.00
    28   1     0.08   0.19  -0.05    -0.03  -0.08   0.02    -0.08  -0.19   0.03
    29   1     0.02   0.11  -0.00     0.01  -0.00   0.00    -0.04  -0.14   0.01
    30   1    -0.12  -0.16  -0.04     0.01   0.02  -0.01     0.12   0.16   0.03
    31   1    -0.09  -0.09  -0.00     0.05   0.07   0.01     0.10   0.10   0.01
    32   1     0.03  -0.04   0.07     0.10  -0.15   0.25    -0.00  -0.00   0.00
    33   1    -0.10  -0.08  -0.04    -0.33  -0.27  -0.12    -0.00  -0.00   0.01
    34   1     0.10  -0.08  -0.04     0.33  -0.27  -0.12    -0.00   0.00  -0.01
    35   1    -0.03  -0.04   0.07    -0.10  -0.15   0.25    -0.00   0.00  -0.00
    36   1    -0.07   0.01   0.01    -0.26   0.06   0.01     0.01   0.01  -0.00
    37   1    -0.06   0.01   0.00    -0.19   0.03   0.04     0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    999.5208              1001.8754              1006.9001
 Red. masses --      1.2517                 1.2631                 1.2633
 Frc consts  --      0.7368                 0.7470                 0.7546
 IR Inten    --      2.5659                 8.2692                 9.5285
 RamAct Fr= 1--      1.1498                 0.1123                 0.3333
  Dep-P Fr= 1--      0.0673                 0.7492                 0.4496
  Dep-U Fr= 1--      0.1262                 0.8566                 0.6203
 Alpha2 Fr= 1--      0.0218                 0.0000                 0.0020
 Beta2  Fr= 1--      0.0242                 0.0160                 0.0345
 AlphaG Fr= 1--     -0.0201                -0.0000                 0.0633
 Gamma2 Fr= 1--      0.9773                 0.7909                -0.7836
 Delta2 Fr= 1--      0.1231                -0.1415                -0.0103
 Raman1 Fr= 1--       4.599                  0.449                  1.333
 ROA1   Fr= 1--      97.757                 71.397                -75.552
 CID1   Fr= 1--      21.255                159.003                -56.678
 Raman2 Fr= 1--       0.290                  0.192                  0.413
 ROA2   Fr= 1--      22.470                 20.113                -18.723
 CID2   Fr= 1--      77.443                104.576                -45.287
 Raman3 Fr= 1--       0.580                  0.385                  0.827
 ROA3   Fr= 1--      97.757                 71.397                -75.552
 CID3   Fr= 1--     168.459                185.614                -91.373
 RC180  Fr= 1--      -0.748                  0.713                  0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.07   0.04     0.02  -0.00   0.00    -0.01   0.05   0.03
     2   6    -0.02  -0.07  -0.04    -0.02  -0.00   0.00    -0.01  -0.05  -0.03
     3   7    -0.00   0.02   0.00     0.01  -0.00  -0.01    -0.01   0.02   0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00  -0.00   0.01    -0.01   0.00  -0.01    -0.01   0.01  -0.01
     6   6    -0.02   0.03  -0.03     0.04  -0.04   0.04     0.03  -0.03   0.04
     7   6     0.04  -0.01   0.02    -0.06   0.00  -0.05    -0.04   0.01  -0.04
     8   7    -0.01  -0.00  -0.00     0.00  -0.00   0.02     0.01  -0.00   0.01
     9   7    -0.00  -0.02  -0.00    -0.01  -0.00  -0.01    -0.01  -0.02  -0.00
    10   7     0.00   0.00  -0.01     0.01   0.00  -0.01    -0.01  -0.01   0.01
    11   6    -0.02  -0.03   0.03    -0.04  -0.04   0.04     0.03   0.03  -0.04
    12   6     0.04   0.01  -0.02     0.06   0.00  -0.05    -0.04  -0.01   0.04
    13   7    -0.01   0.00   0.00    -0.00  -0.00   0.02     0.01   0.00  -0.01
    14   1    -0.13  -0.09   0.03     0.20   0.17  -0.01     0.17   0.14  -0.02
    15   1     0.12  -0.00   0.05    -0.18  -0.00  -0.09    -0.17   0.01  -0.07
    16   1    -0.02  -0.15  -0.01     0.04   0.27   0.02     0.04   0.22   0.00
    17   1    -0.05   0.09  -0.06     0.10  -0.18   0.10     0.08  -0.13   0.07
    18   1    -0.02   0.14   0.01    -0.04   0.27   0.03     0.05  -0.22  -0.01
    19   1    -0.05  -0.09   0.06    -0.10  -0.18   0.10     0.08   0.13  -0.07
    20   1    -0.13   0.09  -0.02    -0.20   0.17  -0.01     0.17  -0.14   0.02
    21   1     0.12   0.00  -0.05     0.18   0.00  -0.09    -0.17  -0.01   0.07
    22   1     0.08  -0.10  -0.02     0.13  -0.15  -0.03    -0.11   0.12   0.02
    23   1    -0.09   0.13  -0.00    -0.17   0.23  -0.01     0.13  -0.18   0.01
    24   1     0.04  -0.11   0.02     0.07  -0.18   0.04    -0.05   0.15  -0.02
    25   1    -0.08   0.15  -0.01    -0.12   0.27   0.00     0.09  -0.22  -0.01
    26   1     0.32   0.01   0.03     0.00  -0.00   0.01     0.24   0.00   0.04
    27   1    -0.22  -0.06  -0.03    -0.02   0.01  -0.01    -0.15  -0.03  -0.02
    28   1     0.04   0.12  -0.03    -0.07  -0.18   0.04    -0.05  -0.15   0.02
    29   1    -0.08  -0.16   0.01     0.12   0.27   0.00     0.09   0.22   0.01
    30   1     0.08   0.10   0.02    -0.13  -0.15  -0.03    -0.11  -0.12  -0.02
    31   1    -0.09  -0.14   0.00     0.17   0.23  -0.01     0.13   0.18  -0.01
    32   1     0.30   0.02   0.11    -0.01   0.01  -0.02     0.21   0.01   0.08
    33   1    -0.11  -0.16  -0.15     0.03   0.02   0.03    -0.08  -0.13  -0.10
    34   1    -0.11   0.16   0.15    -0.03   0.03   0.03    -0.08   0.12   0.10
    35   1     0.30  -0.02  -0.11     0.01   0.01  -0.03     0.21  -0.01  -0.08
    36   1    -0.23   0.06   0.03     0.01   0.01  -0.01    -0.15   0.03   0.02
    37   1     0.32  -0.01  -0.03     0.01  -0.00   0.01     0.24  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.9813              1049.0063              1049.9742
 Red. masses --      3.1900                 3.1931                 3.1436
 Frc consts  --      2.0681                 2.0702                 2.0419
 IR Inten    --     70.0807                49.1818                18.0325
 RamAct Fr= 1--      0.6438                 1.8368                 1.0286
  Dep-P Fr= 1--      0.7441                 0.5838                 0.1682
  Dep-U Fr= 1--      0.8533                 0.7372                 0.2879
 Alpha2 Fr= 1--      0.0001                 0.0057                 0.0152
 Beta2  Fr= 1--      0.0916                 0.2257                 0.0494
 AlphaG Fr= 1--      0.0004                 0.0346                -0.0160
 Gamma2 Fr= 1--     -1.6179                -1.1421                 1.1770
 Delta2 Fr= 1--     -1.9326                -0.4330                 0.5284
 Raman1 Fr= 1--       2.575                  7.347                  4.114
 ROA1   Fr= 1--    -217.166               -123.500                129.901
 CID1   Fr= 1--     -84.329                -16.809                 31.574
 Raman2 Fr= 1--       1.099                  2.708                  0.592
 ROA2   Fr= 1--     -23.370                -23.947                 24.022
 CID2   Fr= 1--     -21.271                 -8.843                 40.559
 Raman3 Fr= 1--       2.197                  5.416                  1.185
 ROA3   Fr= 1--    -217.166               -123.500                129.901
 CID3   Fr= 1--     -98.831                -22.801                109.665
 RC180  Fr= 1--       0.707                  0.474                 -0.424
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.04   0.04  -0.09     0.09   0.10  -0.20
     2   6     0.00  -0.00   0.01     0.04  -0.04   0.09     0.09  -0.10   0.20
     3   7    -0.00   0.00  -0.00    -0.06   0.02  -0.01    -0.12   0.06  -0.02
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   7    -0.06  -0.09  -0.05    -0.04  -0.07  -0.04     0.02   0.03   0.02
     6   6    -0.07   0.13   0.14    -0.05   0.10   0.10     0.03  -0.05  -0.05
     7   6     0.15   0.00  -0.14     0.11   0.01  -0.10    -0.05  -0.00   0.05
     8   7    -0.05  -0.09   0.06    -0.04  -0.07   0.04     0.02   0.03  -0.02
     9   7    -0.01  -0.00  -0.00    -0.06  -0.02   0.01    -0.12  -0.06   0.02
    10   7     0.05  -0.07  -0.04    -0.05   0.08   0.05     0.02  -0.03  -0.02
    11   6     0.06   0.11   0.11    -0.06  -0.12  -0.13     0.03   0.05   0.05
    12   6    -0.12   0.00  -0.12     0.14  -0.01   0.13    -0.06   0.00  -0.05
    13   7     0.04  -0.08   0.05    -0.04   0.09  -0.05     0.02  -0.03   0.02
    14   1    -0.05   0.23   0.16    -0.04   0.16   0.11     0.02  -0.09  -0.06
    15   1    -0.19   0.25   0.16    -0.15   0.19   0.12     0.08  -0.10  -0.07
    16   1     0.21   0.06  -0.16     0.16   0.05  -0.12    -0.09  -0.03   0.06
    17   1     0.33  -0.04  -0.17     0.24  -0.03  -0.13    -0.12   0.02   0.06
    18   1    -0.17   0.05  -0.13     0.20  -0.06   0.15    -0.09   0.03  -0.06
    19   1    -0.27  -0.04  -0.15     0.30   0.04   0.16    -0.13  -0.02  -0.07
    20   1     0.04   0.20   0.14    -0.05  -0.20  -0.14     0.02   0.09   0.06
    21   1     0.16   0.21   0.14    -0.19  -0.24  -0.15     0.08   0.11   0.07
    22   1    -0.07   0.08  -0.04     0.09  -0.10   0.05    -0.03   0.03  -0.02
    23   1    -0.01  -0.02  -0.05    -0.00   0.04   0.06     0.01  -0.02  -0.02
    24   1    -0.04   0.11   0.04     0.04  -0.12  -0.04    -0.01   0.03   0.02
    25   1     0.04  -0.03   0.06    -0.03   0.02  -0.06     0.01  -0.01   0.02
    26   1    -0.01  -0.01   0.01    -0.05  -0.03   0.02    -0.04  -0.06   0.05
    27   1     0.02  -0.00   0.00     0.10  -0.02   0.03     0.15  -0.04   0.05
    28   1     0.05   0.14   0.05     0.03   0.10   0.04    -0.01  -0.03  -0.02
    29   1    -0.04  -0.03   0.07    -0.02  -0.01   0.04     0.01   0.01  -0.02
    30   1     0.09   0.10  -0.05     0.07   0.08  -0.04    -0.03  -0.03   0.02
    31   1     0.01  -0.03  -0.06    -0.00  -0.03  -0.05     0.01   0.02   0.02
    32   1    -0.00   0.00  -0.01     0.06   0.05  -0.12     0.19   0.11  -0.24
    33   1     0.01   0.01  -0.02     0.08   0.05  -0.16     0.15   0.07  -0.41
    34   1     0.00  -0.00   0.01     0.08  -0.05   0.16     0.15  -0.07   0.41
    35   1     0.02  -0.01   0.02     0.06  -0.05   0.12     0.19  -0.11   0.24
    36   1    -0.00   0.00  -0.00     0.10   0.02  -0.03     0.15   0.04  -0.05
    37   1     0.00  -0.00   0.00    -0.05   0.03  -0.02    -0.04   0.06  -0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1114.6536              1114.7610              1122.3411
 Red. masses --      1.0219                 1.0233                 1.0312
 Frc consts  --      0.7481                 0.7492                 0.7653
 IR Inten    --      0.9855                 0.5359                 0.1790
 RamAct Fr= 1--      0.6934                 0.7573                 0.3771
  Dep-P Fr= 1--      0.7479                 0.7496                 0.7500
  Dep-U Fr= 1--      0.8558                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0989                 0.1082                 0.0539
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.6056                -0.3639                 0.0894
 Delta2 Fr= 1--      0.1641                -0.0765                -0.0636
 Raman1 Fr= 1--       2.774                  3.029                  1.508
 ROA1   Fr= 1--      63.394                -37.383                  6.547
 CID1   Fr= 1--      22.856                -12.341                  4.340
 Raman2 Fr= 1--       1.187                  1.298                  0.646
 ROA2   Fr= 1--      13.223                 -8.122                  2.654
 CID2   Fr= 1--      11.141                 -6.259                  4.105
 Raman3 Fr= 1--       2.374                  2.596                  1.293
 ROA3   Fr= 1--      63.394                -37.383                  6.547
 CID3   Fr= 1--      26.708                -14.402                  5.064
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.01   0.00  -0.01     0.00   0.00  -0.00
     3   7    -0.01   0.00  -0.01     0.01  -0.01   0.01    -0.02   0.00   0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00    -0.01   0.01   0.01
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.01   0.01  -0.00
     7   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
     8   7     0.01   0.01  -0.01     0.00  -0.00   0.00    -0.01  -0.00   0.01
     9   7     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.02   0.00   0.00
    10   7    -0.00   0.01   0.00    -0.00   0.01   0.00     0.01   0.01   0.01
    11   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.01  -0.00     0.00  -0.01  -0.00
    13   7     0.01  -0.00   0.00     0.01  -0.01   0.01     0.01  -0.00   0.01
    14   1    -0.05   0.26   0.18     0.00  -0.01  -0.01     0.04  -0.20  -0.14
    15   1     0.01  -0.15  -0.13    -0.00   0.02   0.01     0.01   0.09   0.09
    16   1    -0.25  -0.07   0.19     0.02   0.02  -0.01     0.18   0.06  -0.14
    17   1     0.12   0.05  -0.12     0.00  -0.00  -0.00    -0.07  -0.06   0.09
    18   1    -0.14   0.04  -0.11    -0.21   0.07  -0.16    -0.18   0.06  -0.14
    19   1     0.08  -0.03   0.08     0.09  -0.04   0.09     0.07  -0.06   0.09
    20   1    -0.03  -0.16  -0.11    -0.04  -0.21  -0.15    -0.04  -0.20  -0.14
    21   1     0.01   0.08   0.07     0.01   0.12   0.11    -0.01   0.09   0.09
    22   1    -0.06   0.07   0.05    -0.09   0.10   0.06    -0.10   0.12   0.07
    23   1     0.12  -0.20  -0.02     0.18  -0.27  -0.02     0.13  -0.22  -0.02
    24   1     0.03  -0.08   0.05     0.05  -0.15   0.07     0.05  -0.13   0.07
    25   1    -0.11   0.20  -0.02    -0.14   0.26  -0.03    -0.13   0.23  -0.03
    26   1    -0.16  -0.02   0.00     0.34   0.03  -0.00    -0.28  -0.02  -0.02
    27   1     0.11   0.05   0.00    -0.18  -0.10   0.00     0.08   0.06   0.00
    28   1     0.06   0.17  -0.09    -0.01  -0.03   0.01    -0.04  -0.13   0.07
    29   1    -0.17  -0.33   0.04     0.00   0.01   0.00     0.13   0.23  -0.03
    30   1    -0.11  -0.12  -0.08     0.01   0.01   0.00     0.10   0.12   0.07
    31   1     0.21   0.33   0.02    -0.02  -0.02  -0.00    -0.13  -0.22  -0.02
    32   1    -0.08  -0.05   0.10     0.19   0.11  -0.22    -0.14  -0.08   0.17
    33   1     0.04   0.03  -0.03    -0.11  -0.08   0.10     0.08   0.06  -0.10
    34   1    -0.06   0.04  -0.06     0.10  -0.08   0.09    -0.08   0.06  -0.10
    35   1     0.09  -0.05   0.10    -0.19   0.10  -0.22     0.14  -0.08   0.17
    36   1    -0.07   0.04  -0.00     0.20  -0.10  -0.00    -0.08   0.05   0.00
    37   1     0.16  -0.02   0.00    -0.34   0.03  -0.01     0.28  -0.02  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1169.7392              1172.2164              1187.5741
 Red. masses --      1.0756                 1.0709                 1.0598
 Frc consts  --      0.8671                 0.8670                 0.8807
 IR Inten    --     75.6774                66.4289                 1.6260
 RamAct Fr= 1--      8.4185                 8.6580                 9.1433
  Dep-P Fr= 1--      0.7500                 0.7368                 0.3321
  Dep-U Fr= 1--      0.8571                 0.8485                 0.4986
 Alpha2 Fr= 1--      0.0000                 0.0019                 0.0850
 Beta2  Fr= 1--      1.2026                 1.2243                 0.7598
 AlphaG Fr= 1--      0.0000                 0.0313                 0.1209
 Gamma2 Fr= 1--     -3.6636                -0.1051                -1.3912
 Delta2 Fr= 1--      2.5875                 4.3528                -5.4848
 Raman1 Fr= 1--      33.674                 34.632                 36.573
 ROA1   Fr= 1--    -268.901                129.199               -309.071
 CID1   Fr= 1--      -7.985                  3.731                 -8.451
 Raman2 Fr= 1--      14.432                 14.692                  9.117
 ROA2   Fr= 1--    -108.626                -37.344                 10.489
 CID2   Fr= 1--      -7.527                 -2.542                  1.150
 Raman3 Fr= 1--      28.863                 29.384                 18.235
 ROA3   Fr= 1--    -268.901                129.199               -309.071
 CID3   Fr= 1--      -9.316                  4.397                -16.950
 RC180  Fr= 1--       0.714                  0.697                 -0.003
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   7     0.00  -0.00  -0.00    -0.03   0.00   0.02    -0.03   0.01   0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.03  -0.02   0.00    -0.02  -0.01   0.00     0.01   0.01   0.01
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.01
     8   7    -0.00  -0.04  -0.00    -0.00  -0.02   0.00    -0.00   0.03  -0.00
     9   7    -0.00  -0.00  -0.00    -0.03  -0.00  -0.02    -0.03  -0.01  -0.01
    10   7     0.03  -0.02   0.00    -0.02   0.01  -0.00     0.01  -0.01  -0.01
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.01
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.01
    13   7     0.00  -0.04  -0.00    -0.00   0.02  -0.00     0.00  -0.03   0.00
    14   1     0.01   0.02   0.00    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01
    15   1     0.06  -0.22  -0.18     0.03  -0.14  -0.12    -0.01   0.17   0.15
    16   1     0.02   0.01  -0.01     0.03   0.01  -0.02    -0.01  -0.02   0.01
    17   1    -0.22  -0.06   0.19    -0.15  -0.04   0.13     0.17   0.06  -0.16
    18   1    -0.02   0.01  -0.01     0.03  -0.01   0.02    -0.01   0.02  -0.01
    19   1     0.21  -0.06   0.18    -0.16   0.04  -0.13     0.17  -0.06   0.16
    20   1    -0.01   0.02   0.00    -0.00   0.00   0.00    -0.02   0.03   0.01
    21   1    -0.06  -0.22  -0.17     0.03   0.14   0.12    -0.01  -0.17  -0.15
    22   1    -0.20   0.28  -0.00     0.14  -0.20   0.01    -0.14   0.18   0.01
    23   1    -0.16   0.11  -0.04     0.11  -0.07   0.03    -0.10   0.07  -0.03
    24   1    -0.14   0.31   0.01     0.09  -0.21   0.01    -0.11   0.26  -0.01
    25   1    -0.02   0.20   0.03     0.02  -0.15  -0.03    -0.01   0.14   0.03
    26   1     0.04   0.00   0.01     0.20  -0.00   0.10     0.18  -0.00   0.08
    27   1     0.04  -0.00   0.00     0.35   0.01   0.04     0.32   0.01   0.04
    28   1     0.15   0.32   0.01     0.09   0.20  -0.01    -0.11  -0.26   0.01
    29   1     0.02   0.21   0.04     0.02   0.15   0.02    -0.01  -0.14  -0.03
    30   1     0.20   0.28  -0.00     0.13   0.19  -0.01    -0.13  -0.18  -0.01
    31   1     0.16   0.12  -0.04     0.10   0.07  -0.02    -0.10  -0.07   0.03
    32   1     0.00   0.01  -0.02     0.02   0.01  -0.02     0.01   0.01  -0.02
    33   1    -0.01  -0.02   0.02    -0.17  -0.12   0.23    -0.16  -0.12   0.20
    34   1     0.01  -0.01   0.01    -0.17   0.12  -0.23    -0.16   0.12  -0.20
    35   1    -0.00   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.01   0.02
    36   1    -0.03  -0.01   0.00     0.35  -0.01  -0.04     0.32  -0.01  -0.04
    37   1    -0.03   0.00   0.00     0.20   0.00  -0.10     0.18   0.00  -0.08
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1220.9687              1225.8555              1244.6043
 Red. masses --      1.2511                 1.2539                 1.2432
 Frc consts  --      1.0989                 1.1102                 1.1346
 IR Inten    --     10.0385                 4.2227                23.5377
 RamAct Fr= 1--      6.3906                 5.8646                 1.0095
  Dep-P Fr= 1--      0.7475                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8555                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      0.9112                 0.8378                 0.1442
 AlphaG Fr= 1--     -0.0004                 0.0000                 0.0000
 Gamma2 Fr= 1--      5.0854                -0.9140                -0.4321
 Delta2 Fr= 1--      0.5475                -0.0108                -0.1662
 Raman1 Fr= 1--      25.562                 23.459                  4.038
 ROA1   Fr= 1--     505.724                -88.089                -46.799
 CID1   Fr= 1--      19.784                 -3.755                -11.590
 Raman2 Fr= 1--      10.935                 10.054                  1.731
 ROA2   Fr= 1--     117.670                -21.849                 -9.040
 CID2   Fr= 1--      10.761                 -2.173                 -5.224
 Raman3 Fr= 1--      21.869                 20.107                  3.461
 ROA3   Fr= 1--     505.724                -88.089                -46.799
 CID3   Fr= 1--      23.125                 -4.381                -13.521
 RC180  Fr= 1--       0.711                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.04  -0.00   0.02    -0.03   0.00  -0.01
     2   6    -0.00   0.00   0.00    -0.04  -0.00   0.02     0.03   0.00  -0.01
     3   7    -0.00   0.00   0.00     0.05  -0.00  -0.03    -0.04  -0.00   0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.05   0.03  -0.01    -0.03  -0.02   0.01    -0.04  -0.02   0.00
     6   6    -0.03  -0.02   0.01     0.01   0.02  -0.01     0.02   0.02   0.00
     7   6     0.01   0.04   0.01    -0.00  -0.03   0.00    -0.00  -0.03  -0.00
     8   7    -0.00  -0.05  -0.01    -0.00   0.04   0.00    -0.00   0.04   0.00
     9   7    -0.00  -0.00  -0.00    -0.05  -0.00  -0.03     0.04  -0.00   0.02
    10   7     0.05  -0.03   0.01     0.03  -0.02   0.01     0.04  -0.02   0.00
    11   6    -0.03   0.02  -0.01    -0.01   0.02  -0.01    -0.02   0.02   0.00
    12   6     0.01  -0.04  -0.01     0.00  -0.03   0.00     0.00  -0.03  -0.00
    13   7    -0.00   0.05   0.01     0.00   0.04   0.00     0.00   0.04   0.00
    14   1    -0.00   0.03   0.00    -0.02  -0.03  -0.01     0.01   0.05   0.04
    15   1    -0.08   0.08   0.08     0.07  -0.02  -0.01     0.08  -0.10  -0.08
    16   1    -0.03  -0.02   0.01     0.03  -0.00  -0.01    -0.03  -0.02   0.04
    17   1    -0.09   0.06   0.04     0.07  -0.01  -0.06     0.09  -0.03  -0.06
    18   1    -0.03   0.02  -0.01    -0.03  -0.00  -0.01     0.03  -0.02   0.04
    19   1    -0.09  -0.06  -0.04    -0.07  -0.01  -0.06    -0.10  -0.03  -0.06
    20   1    -0.00  -0.03  -0.00     0.02  -0.03  -0.01    -0.01   0.05   0.04
    21   1    -0.07  -0.08  -0.08    -0.08  -0.02  -0.01    -0.08  -0.10  -0.08
    22   1    -0.26   0.36   0.01    -0.15   0.22  -0.02    -0.19   0.27   0.02
    23   1    -0.17   0.08  -0.06    -0.11   0.06  -0.02    -0.15   0.08  -0.06
    24   1     0.18  -0.38  -0.00     0.13  -0.28   0.03     0.12  -0.26   0.02
    25   1    -0.02  -0.18  -0.04    -0.02  -0.11  -0.04    -0.01  -0.16  -0.05
    26   1     0.02  -0.00   0.02     0.18  -0.01   0.14    -0.14   0.00  -0.10
    27   1     0.02  -0.01   0.00     0.45   0.04   0.03    -0.39  -0.02  -0.04
    28   1     0.18   0.39   0.00    -0.12  -0.27   0.03    -0.12  -0.26   0.02
    29   1    -0.02   0.18   0.04     0.02  -0.10  -0.04     0.01  -0.16  -0.05
    30   1    -0.26  -0.37  -0.01     0.14   0.21  -0.02     0.19   0.26   0.02
    31   1    -0.18  -0.08   0.06     0.11   0.06  -0.02     0.15   0.08  -0.05
    32   1     0.01   0.00  -0.01    -0.01   0.01   0.01     0.03  -0.00  -0.02
    33   1    -0.01   0.00   0.02    -0.02  -0.02   0.14     0.01   0.02  -0.10
    34   1    -0.01  -0.00  -0.03     0.02  -0.02   0.14    -0.01   0.02  -0.10
    35   1     0.01  -0.00   0.01     0.01   0.01   0.01    -0.03  -0.00  -0.02
    36   1     0.02   0.01  -0.00    -0.45   0.04   0.03     0.39  -0.01  -0.04
    37   1     0.03   0.00  -0.02    -0.18  -0.01   0.14     0.14   0.00  -0.10
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2763              1292.8694              1298.2383
 Red. masses --      1.3918                 1.3945                 1.3675
 Frc consts  --      1.3694                 1.3734                 1.3580
 IR Inten    --      1.0600                 0.2030                 0.5098
 RamAct Fr= 1--      0.4132                 6.0263                 4.3078
  Dep-P Fr= 1--      0.7466                 0.1029                 0.4854
  Dep-U Fr= 1--      0.8549                 0.1867                 0.6535
 Alpha2 Fr= 1--      0.0000                 0.1048                 0.0227
 Beta2  Fr= 1--      0.0589                 0.1875                 0.4692
 AlphaG Fr= 1--      0.0000                 0.0159                -0.0205
 Gamma2 Fr= 1--      0.1097                -0.9245                -0.3615
 Delta2 Fr= 1--     -0.1666                -0.7350                 0.5721
 Raman1 Fr= 1--       1.653                 24.105                 17.231
 ROA1   Fr= 1--       5.197               -112.273                -16.398
 CID1   Fr= 1--       3.144                 -4.658                 -0.952
 Raman2 Fr= 1--       0.707                  2.250                  5.630
 ROA2   Fr= 1--       3.965                -16.308                -13.252
 CID2   Fr= 1--       5.612                 -7.249                 -2.354
 Raman3 Fr= 1--       1.413                  4.499                 11.261
 ROA3   Fr= 1--       5.197               -112.273                -16.398
 CID3   Fr= 1--       3.678                -24.953                 -1.456
 RC180  Fr= 1--       0.710                 -0.627                  0.307
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.10  -0.04    -0.01   0.05   0.01
     2   6     0.00   0.00  -0.00     0.01   0.10   0.04    -0.01  -0.05  -0.01
     3   7    -0.01  -0.00   0.00    -0.02  -0.03  -0.02     0.02   0.02   0.01
     4  45     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.02   0.02    -0.01   0.01  -0.01    -0.01   0.02  -0.01
     6   6    -0.05   0.03  -0.06     0.03  -0.02   0.03     0.04  -0.03   0.05
     7   6     0.05  -0.02   0.06    -0.03   0.01  -0.03    -0.05   0.03  -0.05
     8   7    -0.03  -0.01  -0.02     0.01   0.00   0.01     0.02  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.02   0.03   0.02     0.02  -0.02  -0.01
    10   7    -0.02  -0.02   0.02    -0.01  -0.01   0.01    -0.01  -0.02   0.01
    11   6     0.05   0.03  -0.06     0.02   0.02  -0.03     0.04   0.03  -0.05
    12   6    -0.05  -0.02   0.06    -0.03  -0.01   0.03    -0.05  -0.03   0.05
    13   7     0.03  -0.01  -0.02     0.01  -0.00  -0.01     0.02   0.00  -0.01
    14   1    -0.23   0.09   0.14     0.10  -0.04  -0.06     0.20  -0.12  -0.14
    15   1     0.08   0.01   0.02    -0.05   0.01  -0.00    -0.09   0.04   0.02
    16   1     0.18  -0.15  -0.13    -0.08   0.09   0.06    -0.19   0.12   0.13
    17   1    -0.04   0.09  -0.02     0.02  -0.03  -0.01     0.06  -0.06  -0.00
    18   1    -0.18  -0.16  -0.13    -0.08  -0.08  -0.06    -0.19  -0.12  -0.13
    19   1     0.04   0.09  -0.02     0.02   0.02   0.01     0.06   0.06   0.00
    20   1     0.23   0.09   0.14     0.10   0.04   0.05     0.20   0.12   0.15
    21   1    -0.08   0.01   0.02    -0.04  -0.01   0.00    -0.09  -0.04  -0.02
    22   1     0.13  -0.16  -0.10     0.05  -0.06  -0.05     0.09  -0.11  -0.09
    23   1    -0.15   0.28   0.07    -0.07   0.13   0.03    -0.13   0.24   0.05
    24   1     0.05  -0.14   0.11     0.02  -0.06   0.05     0.06  -0.16   0.10
    25   1    -0.17   0.30  -0.07    -0.07   0.13  -0.03    -0.14   0.23  -0.06
    26   1    -0.02   0.00  -0.02     0.39   0.08  -0.04    -0.23  -0.05   0.02
    27   1    -0.05  -0.00  -0.01    -0.23  -0.14   0.01     0.13   0.08  -0.01
    28   1    -0.05  -0.14   0.11     0.02   0.07  -0.06     0.06   0.16  -0.10
    29   1     0.17   0.29  -0.07    -0.08  -0.14   0.04    -0.14  -0.22   0.06
    30   1    -0.12  -0.16  -0.10     0.05   0.07   0.05     0.09   0.11   0.09
    31   1     0.15   0.28   0.07    -0.07  -0.14  -0.03    -0.13  -0.24  -0.05
    32   1     0.00  -0.00  -0.00    -0.03   0.06  -0.36     0.05  -0.01   0.13
    33   1     0.01   0.01  -0.01     0.04   0.04   0.11    -0.08  -0.06   0.02
    34   1    -0.00   0.01  -0.01     0.04  -0.04  -0.11    -0.08   0.06  -0.02
    35   1    -0.00  -0.00   0.01    -0.03  -0.06   0.36     0.05   0.01  -0.13
    36   1     0.05   0.00  -0.01    -0.23   0.14  -0.02     0.13  -0.08   0.01
    37   1     0.03  -0.00  -0.01     0.39  -0.08   0.05    -0.23   0.05  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.0734              1332.4054              1341.4749
 Red. masses --      1.1833                 1.1875                 1.1773
 Frc consts  --      1.2352                 1.2421                 1.2482
 IR Inten    --     26.0411                24.1301                 0.1840
 RamAct Fr= 1--      0.8424                 3.3796                 2.6454
  Dep-P Fr= 1--      0.7500                 0.7335                 0.2279
  Dep-U Fr= 1--      0.8571                 0.8463                 0.3712
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0333
 Beta2  Fr= 1--      0.1203                 0.4767                 0.1637
 AlphaG Fr= 1--      0.0000                 0.0117                -0.0310
 Gamma2 Fr= 1--      3.5906                -0.1090                -0.4427
 Delta2 Fr= 1--      1.7523                -1.0844                -0.0090
 Raman1 Fr= 1--       3.370                 13.518                 10.581
 ROA1   Fr= 1--     400.771                -45.163                -42.788
 CID1   Fr= 1--     118.937                 -3.341                 -4.044
 Raman2 Fr= 1--       1.444                  5.720                  1.964
 ROA2   Fr= 1--      72.155                  6.060                -10.554
 CID2   Fr= 1--      49.965                  1.059                 -5.374
 Raman3 Fr= 1--       2.888                 11.440                  3.928
 ROA3   Fr= 1--     400.771                -45.163                -42.788
 CID3   Fr= 1--     138.760                 -3.948                -10.893
 RC180  Fr= 1--       0.714                  0.693                 -0.258
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.01   0.05    -0.01  -0.00  -0.02
     2   6     0.00   0.00   0.00     0.01   0.01  -0.05    -0.01   0.00   0.02
     3   7    -0.00  -0.00   0.00    -0.05  -0.03   0.02     0.02   0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   7    -0.02  -0.03   0.03    -0.01  -0.02   0.02    -0.02  -0.03   0.03
     6   6     0.03  -0.01  -0.02     0.02  -0.01  -0.01     0.02  -0.00  -0.02
     7   6    -0.02   0.02   0.02    -0.02   0.01   0.00    -0.01   0.02   0.02
     8   7    -0.02  -0.04  -0.03    -0.00  -0.02  -0.01    -0.02  -0.03  -0.02
     9   7     0.01  -0.00   0.00    -0.05   0.03  -0.02     0.02  -0.01   0.01
    10   7     0.02  -0.03   0.03    -0.01   0.01  -0.02    -0.02   0.03  -0.03
    11   6    -0.03  -0.01  -0.02     0.02   0.01   0.01     0.02   0.00   0.02
    12   6     0.02   0.02   0.02    -0.02  -0.01  -0.00    -0.01  -0.02  -0.02
    13   7     0.02  -0.04  -0.03    -0.00   0.01   0.01    -0.02   0.03   0.02
    14   1     0.08  -0.20  -0.16     0.04  -0.12  -0.09     0.03  -0.17  -0.12
    15   1    -0.00   0.24   0.20    -0.02   0.15   0.12     0.00   0.21   0.17
    16   1    -0.22  -0.05   0.17    -0.10   0.01   0.08    -0.16  -0.06   0.13
    17   1     0.24   0.13  -0.23     0.08   0.05  -0.10     0.19   0.11  -0.18
    18   1     0.22  -0.04   0.17    -0.09  -0.02  -0.08    -0.16   0.06  -0.13
    19   1    -0.24   0.12  -0.23     0.08  -0.05   0.09     0.19  -0.11   0.18
    20   1    -0.08  -0.20  -0.16     0.04   0.12   0.09     0.03   0.17   0.12
    21   1     0.00   0.24   0.21    -0.02  -0.14  -0.11     0.00  -0.21  -0.17
    22   1    -0.06   0.10  -0.03     0.03  -0.06   0.03     0.06  -0.10   0.05
    23   1    -0.13   0.13   0.01     0.07  -0.06  -0.00     0.17  -0.17  -0.01
    24   1    -0.07   0.12   0.04     0.03  -0.07   0.00     0.05  -0.09  -0.04
    25   1    -0.04   0.20  -0.02    -0.01  -0.05  -0.01     0.07  -0.23   0.02
    26   1    -0.03  -0.00  -0.01     0.25   0.05   0.07    -0.13  -0.02  -0.04
    27   1    -0.02   0.01  -0.00     0.15  -0.04   0.02    -0.12   0.02  -0.02
    28   1     0.06   0.12   0.04     0.03   0.07   0.00     0.05   0.09   0.04
    29   1     0.04   0.20  -0.02    -0.01   0.06   0.01     0.07   0.23  -0.02
    30   1     0.06   0.10  -0.03     0.04   0.06  -0.03     0.06   0.10  -0.05
    31   1     0.13   0.12   0.01     0.07   0.06   0.00     0.17   0.16   0.01
    32   1     0.01   0.01  -0.02    -0.18  -0.11   0.26     0.11   0.07  -0.16
    33   1    -0.02  -0.02   0.01     0.27   0.20  -0.25    -0.12  -0.08   0.11
    34   1     0.02  -0.01   0.01     0.27  -0.20   0.25    -0.12   0.08  -0.11
    35   1    -0.01   0.01  -0.01    -0.18   0.11  -0.26     0.11  -0.07   0.16
    36   1     0.02   0.01  -0.00     0.15   0.04  -0.02    -0.12  -0.02   0.02
    37   1     0.02  -0.00  -0.01     0.25  -0.04  -0.07    -0.13   0.02   0.04
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.7371              1348.0922              1351.6983
 Red. masses --      1.1923                 1.1884                 1.1988
 Frc consts  --      1.2760                 1.2725                 1.2905
 IR Inten    --      3.5102                12.8988                 6.4387
 RamAct Fr= 1--      8.1202                13.8629                 5.1737
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      1.1600                 1.9797                 0.7391
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      8.3996               -11.2189                -2.3911
 Delta2 Fr= 1--      1.4372                -0.8950                 0.3173
 Raman1 Fr= 1--      32.481                 55.452                 20.695
 ROA1   Fr= 1--     852.352              -1105.658               -219.396
 CID1   Fr= 1--      26.242                -19.939                -10.602
 Raman2 Fr= 1--      13.920                 23.756                  8.869
 ROA2   Fr= 1--     190.092               -262.094                -59.926
 CID2   Fr= 1--      13.656                -11.033                 -6.757
 Raman3 Fr= 1--      27.841                 47.513                 17.738
 ROA3   Fr= 1--     852.352              -1105.658               -219.396
 CID3   Fr= 1--      30.615                -23.271                -12.369
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.06  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01   0.00
     2   6    -0.02   0.06  -0.01    -0.00  -0.00   0.00     0.01  -0.01   0.00
     3   7    -0.04  -0.05  -0.00     0.00   0.00  -0.00     0.00   0.01   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.03   0.03    -0.01  -0.03   0.03
     6   6    -0.00  -0.00  -0.01    -0.02  -0.01  -0.04    -0.01  -0.02  -0.04
     7   6     0.00   0.00  -0.01     0.00   0.02  -0.04     0.01   0.02  -0.04
     8   7     0.00   0.01   0.01     0.02   0.01   0.03     0.02   0.02   0.03
     9   7     0.04  -0.05  -0.00     0.00  -0.00   0.00    -0.00   0.01   0.00
    10   7    -0.00  -0.00   0.00     0.00   0.03  -0.03     0.01  -0.03   0.03
    11   6     0.00  -0.00  -0.00    -0.02   0.01   0.04     0.01  -0.02  -0.04
    12   6    -0.00   0.00  -0.01     0.00  -0.02   0.04    -0.01   0.02  -0.04
    13   7    -0.00   0.01   0.01     0.02  -0.01  -0.03    -0.02   0.02   0.03
    14   1    -0.01  -0.02  -0.01    -0.05  -0.15  -0.09    -0.05  -0.14  -0.08
    15   1    -0.01   0.04   0.03    -0.06   0.27   0.21    -0.06   0.30   0.23
    16   1     0.02   0.00  -0.02     0.12   0.12  -0.11     0.07   0.10  -0.07
    17   1    -0.05  -0.03   0.07    -0.27  -0.09   0.22    -0.26  -0.07   0.21
    18   1    -0.02   0.00  -0.02     0.12  -0.12   0.11    -0.08   0.11  -0.07
    19   1     0.05  -0.03   0.06    -0.27   0.09  -0.23     0.26  -0.08   0.21
    20   1     0.01  -0.02  -0.01    -0.05   0.15   0.09     0.05  -0.14  -0.08
    21   1     0.01   0.03   0.02    -0.06  -0.27  -0.21     0.06   0.30   0.23
    22   1     0.01  -0.01  -0.01    -0.04   0.04   0.08     0.01   0.00  -0.08
    23   1    -0.01   0.02   0.01     0.15  -0.22  -0.05    -0.18   0.23   0.04
    24   1     0.00   0.00  -0.01     0.00  -0.03   0.08     0.00   0.02  -0.08
    25   1     0.01  -0.04   0.00    -0.11   0.24  -0.05     0.10  -0.24   0.05
    26   1    -0.37  -0.08  -0.01    -0.02  -0.00  -0.01     0.05   0.01  -0.01
    27   1     0.05   0.11  -0.02    -0.03   0.00  -0.00    -0.06  -0.02  -0.00
    28   1    -0.00   0.00  -0.02     0.00   0.03  -0.08    -0.00   0.02  -0.07
    29   1    -0.01  -0.05   0.01    -0.10  -0.24   0.05    -0.09  -0.23   0.04
    30   1    -0.01  -0.01  -0.01    -0.04  -0.04  -0.08    -0.01   0.00  -0.08
    31   1     0.02   0.03   0.01     0.15   0.22   0.05     0.18   0.23   0.04
    32   1     0.23   0.11  -0.09     0.02   0.01  -0.03    -0.04  -0.02   0.01
    33   1    -0.29  -0.19   0.35    -0.01  -0.01   0.01     0.05   0.03  -0.07
    34   1     0.29  -0.19   0.36    -0.02   0.01  -0.02    -0.05   0.03  -0.07
    35   1    -0.23   0.10  -0.09     0.02  -0.02   0.03     0.04  -0.02   0.01
    36   1    -0.05   0.11  -0.02    -0.02  -0.01   0.00     0.06  -0.02  -0.00
    37   1     0.37  -0.08  -0.01    -0.03   0.01   0.01    -0.05   0.01  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.4549              1405.0486              1407.6406
 Red. masses --      1.2682                 1.2707                 1.2598
 Frc consts  --      1.4739                 1.4780                 1.4707
 IR Inten    --      0.8605                 0.1242                 2.3214
 RamAct Fr= 1--      1.3730                 2.4808                 0.7900
  Dep-P Fr= 1--      0.7500                 0.7495                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8568                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1961                 0.3543                 0.1129
 AlphaG Fr= 1--     -0.0000                -0.0002                 0.0000
 Gamma2 Fr= 1--     -1.8245                 3.3869                 1.0198
 Delta2 Fr= 1--     -0.7477                 1.6610                 0.5384
 Raman1 Fr= 1--       5.492                  9.923                  3.160
 ROA1   Fr= 1--    -199.079                378.291                115.128
 CID1   Fr= 1--     -36.249                 38.122                 36.432
 Raman2 Fr= 1--       2.354                  4.251                  1.354
 ROA2   Fr= 1--     -37.807                 67.997                 20.168
 CID2   Fr= 1--     -16.063                 15.995                 14.891
 Raman3 Fr= 1--       4.707                  8.502                  2.709
 ROA3   Fr= 1--    -199.079                378.291                115.128
 CID3   Fr= 1--     -42.290                 44.492                 42.504
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.00  -0.08     0.00   0.00  -0.00    -0.01  -0.00   0.02
     2   6    -0.06   0.00  -0.08     0.00  -0.00   0.00     0.01  -0.00   0.02
     3   7    -0.01   0.02   0.03    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.02   0.00  -0.01    -0.02   0.01  -0.01
     6   6     0.01  -0.02  -0.01     0.03  -0.06  -0.02     0.03  -0.06  -0.02
     7   6     0.01   0.00  -0.00     0.07   0.01  -0.02     0.07   0.01  -0.02
     8   7    -0.00   0.00  -0.00    -0.02   0.02  -0.01    -0.02   0.01  -0.01
     9   7     0.01   0.02   0.03    -0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   7     0.01   0.00  -0.00    -0.02  -0.01   0.01     0.02   0.01  -0.01
    11   6    -0.01  -0.02  -0.01     0.03   0.06   0.02    -0.02  -0.06  -0.02
    12   6    -0.01   0.00  -0.00     0.07  -0.01   0.02    -0.07   0.01  -0.02
    13   7     0.00   0.00  -0.00    -0.02  -0.02   0.01     0.02   0.01  -0.01
    14   1    -0.01   0.08   0.06    -0.04   0.29   0.22    -0.03   0.29   0.22
    15   1    -0.02   0.05   0.04    -0.10   0.21   0.15    -0.09   0.18   0.14
    16   1    -0.05  -0.01   0.05    -0.27  -0.11   0.23    -0.26  -0.12   0.23
    17   1    -0.05   0.01   0.02    -0.23  -0.01   0.16    -0.21  -0.01   0.14
    18   1     0.05  -0.01   0.05    -0.27   0.11  -0.23     0.26  -0.11   0.23
    19   1     0.05   0.01   0.02    -0.23   0.01  -0.16     0.20  -0.01   0.14
    20   1     0.01   0.09   0.06    -0.04  -0.29  -0.22     0.03   0.29   0.22
    21   1     0.02   0.05   0.04    -0.10  -0.21  -0.16     0.09   0.18   0.14
    22   1    -0.02   0.03   0.01     0.07  -0.10  -0.04    -0.06   0.08   0.06
    23   1     0.02  -0.04  -0.01    -0.05   0.11   0.04     0.07  -0.13  -0.04
    24   1     0.01  -0.02   0.01    -0.05   0.10  -0.05     0.04  -0.09   0.06
    25   1    -0.01   0.03  -0.01     0.07  -0.09   0.04    -0.08   0.13  -0.04
    26   1     0.17   0.05  -0.04     0.00   0.00   0.00    -0.03  -0.01   0.01
    27   1    -0.15  -0.07   0.01     0.00  -0.00   0.00     0.07   0.02   0.00
    28   1    -0.01  -0.02   0.01    -0.05  -0.10   0.05    -0.04  -0.09   0.06
    29   1     0.01   0.03  -0.01     0.07   0.09  -0.04     0.08   0.13  -0.04
    30   1     0.02   0.03   0.01     0.07   0.10   0.04     0.06   0.08   0.06
    31   1    -0.01  -0.04  -0.01    -0.05  -0.11  -0.04    -0.07  -0.13  -0.04
    32   1    -0.32  -0.21   0.33    -0.01  -0.00   0.01     0.08   0.05  -0.07
    33   1    -0.18  -0.12   0.32    -0.00  -0.01   0.00     0.04   0.03  -0.07
    34   1     0.18  -0.12   0.32    -0.00   0.00   0.00    -0.04   0.03  -0.07
    35   1     0.32  -0.21   0.33    -0.01   0.00  -0.01    -0.08   0.05  -0.07
    36   1     0.15  -0.06   0.01     0.00   0.00  -0.00    -0.07   0.02   0.00
    37   1    -0.17   0.05  -0.04     0.00  -0.00  -0.00     0.03  -0.01   0.01
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1442.6752              1443.8012              1445.7408
 Red. masses --      1.4425                 1.4527                 1.4508
 Frc consts  --      1.7689                 1.7842                 1.7866
 IR Inten    --      3.1811                 2.6232                 0.9977
 RamAct Fr= 1--      0.3594                 0.6486                 0.4977
  Dep-P Fr= 1--      0.7500                 0.6890                 0.6574
  Dep-U Fr= 1--      0.8571                 0.8159                 0.7933
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0008
 Beta2  Fr= 1--      0.0513                 0.0882                 0.0658
 AlphaG Fr= 1--      0.0000                -0.0204                 0.0204
 Gamma2 Fr= 1--     -1.5809                 0.6332                -0.3811
 Delta2 Fr= 1--     -1.0278                 0.5206                -0.4120
 Raman1 Fr= 1--       1.438                  2.594                  1.991
 ROA1   Fr= 1--    -184.653                 77.444                -49.767
 CID1   Fr= 1--    -128.444                 29.852                -24.997
 Raman2 Fr= 1--       0.616                  1.058                  0.790
 ROA2   Fr= 1--     -29.719                 11.032                 -5.849
 CID2   Fr= 1--     -48.236                 10.424                 -7.407
 Raman3 Fr= 1--       1.232                  2.117                  1.579
 ROA3   Fr= 1--    -184.653                 77.444                -49.767
 CID3   Fr= 1--    -149.851                 36.589                -31.511
 RC180  Fr= 1--       0.714                  0.632                  0.587
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.03   0.03  -0.13    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01     0.03  -0.03   0.13    -0.00  -0.00   0.00
     3   7    -0.00  -0.00  -0.00     0.01  -0.01  -0.04     0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     5   7    -0.03   0.01   0.00     0.00  -0.00   0.00    -0.03   0.01  -0.00
     6   6     0.05  -0.06  -0.05    -0.00   0.00  -0.00     0.06  -0.06  -0.05
     7   6    -0.08   0.02   0.05     0.00  -0.00   0.00    -0.08   0.02   0.05
     8   7     0.02  -0.02   0.00    -0.00  -0.00  -0.00     0.02  -0.02   0.00
     9   7     0.00  -0.00  -0.00     0.01   0.01   0.04     0.00  -0.00  -0.00
    10   7     0.03   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.01   0.00
    11   6    -0.05  -0.06  -0.05    -0.00  -0.00   0.00     0.06   0.06   0.05
    12   6     0.08   0.02   0.05    -0.00   0.00  -0.00    -0.08  -0.02  -0.05
    13   7    -0.02  -0.02   0.00     0.00   0.00   0.00     0.02   0.02  -0.00
    14   1    -0.09   0.29   0.27     0.00  -0.02  -0.01    -0.11   0.27   0.28
    15   1    -0.05   0.17   0.09     0.00   0.00   0.00    -0.08   0.17   0.07
    16   1     0.29   0.04  -0.28    -0.00   0.02   0.01     0.29   0.04  -0.29
    17   1     0.18   0.02  -0.08    -0.01   0.02  -0.02     0.19   0.02  -0.08
    18   1    -0.29   0.04  -0.29     0.00  -0.02  -0.01     0.29  -0.04   0.28
    19   1    -0.18   0.02  -0.08    -0.01  -0.02   0.02     0.19  -0.02   0.08
    20   1     0.09   0.29   0.27    -0.00   0.01   0.01    -0.11  -0.26  -0.28
    21   1     0.05   0.17   0.09     0.00  -0.01  -0.00    -0.08  -0.17  -0.07
    22   1    -0.07   0.13   0.02     0.00  -0.00   0.01     0.08  -0.13  -0.03
    23   1    -0.00  -0.11  -0.06     0.02  -0.02  -0.00    -0.01   0.09   0.05
    24   1    -0.07   0.13  -0.02     0.01  -0.02  -0.01     0.07  -0.13   0.03
    25   1     0.08  -0.05   0.06    -0.01  -0.01  -0.01    -0.08   0.05  -0.05
    26   1    -0.02  -0.00   0.00     0.11   0.05  -0.09    -0.02  -0.00   0.00
    27   1     0.01  -0.00   0.00    -0.22  -0.03   0.00     0.00  -0.00  -0.00
    28   1     0.07   0.12  -0.02     0.01   0.02   0.01     0.07   0.13  -0.03
    29   1    -0.08  -0.05   0.06    -0.00   0.01   0.01    -0.08  -0.05   0.05
    30   1     0.07   0.12   0.01    -0.00  -0.00  -0.01     0.08   0.13   0.03
    31   1     0.00  -0.11  -0.06     0.02   0.02   0.00    -0.01  -0.09  -0.05
    32   1     0.00   0.01  -0.02    -0.27  -0.25   0.43     0.02  -0.01   0.02
    33   1    -0.00  -0.01  -0.02    -0.17  -0.05   0.23    -0.00   0.01   0.02
    34   1     0.00  -0.01  -0.02    -0.16   0.04  -0.23    -0.00  -0.01  -0.02
    35   1    -0.01   0.02  -0.03    -0.27   0.25  -0.43     0.02   0.01  -0.02
    36   1    -0.01   0.00   0.00    -0.22   0.03  -0.00     0.00   0.00   0.00
    37   1     0.02  -0.00   0.00     0.11  -0.05   0.09    -0.02   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8309              1502.9443              1503.6487
 Red. masses --      1.0811                 1.0804                 1.0791
 Frc consts  --      1.4385                 1.4379                 1.4374
 IR Inten    --     27.1698                27.3436                22.4296
 RamAct Fr= 1--      6.2268                 7.5687                 3.4225
  Dep-P Fr= 1--      0.4211                 0.5899                 0.7485
  Dep-U Fr= 1--      0.5926                 0.7420                 0.8561
 Alpha2 Fr= 1--      0.0427                 0.0226                 0.0001
 Beta2  Fr= 1--      0.6150                 0.9360                 0.4884
 AlphaG Fr= 1--      0.0693                 0.0337                 0.0009
 Gamma2 Fr= 1--     -2.0975                -1.9249                -1.4199
 Delta2 Fr= 1--     -0.9637                -0.6316                -0.9185
 Raman1 Fr= 1--      24.907                 30.275                 13.690
 ROA1   Fr= 1--    -232.198               -205.004               -165.703
 CID1   Fr= 1--      -9.323                 -6.771                -12.104
 Raman2 Fr= 1--       7.381                 11.232                  5.860
 ROA2   Fr= 1--     -42.631                -41.145                -26.730
 CID2   Fr= 1--      -5.776                 -3.663                 -4.561
 Raman3 Fr= 1--      14.761                 22.465                 11.721
 ROA3   Fr= 1--    -232.198               -205.004               -165.703
 CID3   Fr= 1--     -15.730                 -9.126                -14.138
 RC180  Fr= 1--       0.185                  0.484                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.04     0.01   0.01   0.02    -0.01  -0.00  -0.00
     2   6    -0.01   0.00  -0.00    -0.05   0.03   0.05    -0.00   0.00   0.00
     3   7    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00     0.02  -0.00  -0.00
     7   6    -0.01   0.03  -0.00    -0.00   0.02  -0.00     0.02  -0.05   0.01
     8   7     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
     9   7    -0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6    -0.01  -0.00  -0.00    -0.01   0.00   0.00    -0.02  -0.00  -0.00
    12   6    -0.00  -0.02   0.00    -0.01  -0.02   0.00    -0.01  -0.05   0.01
    13   7     0.00  -0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    14   1     0.08   0.05  -0.06     0.07   0.04  -0.05    -0.11  -0.05   0.09
    15   1     0.10  -0.01   0.07     0.08  -0.02   0.05    -0.12   0.02  -0.08
    16   1    -0.05  -0.23  -0.10    -0.05  -0.17  -0.06     0.11   0.45   0.19
    17   1     0.13  -0.16   0.15     0.09  -0.12   0.11    -0.26   0.32  -0.29
    18   1    -0.05   0.18   0.07    -0.04   0.17   0.08    -0.10   0.39   0.16
    19   1     0.10   0.13  -0.12     0.10   0.12  -0.11     0.23   0.28  -0.26
    20   1     0.08  -0.05   0.06     0.07  -0.05   0.05     0.11  -0.06   0.09
    21   1     0.09   0.02  -0.06     0.08   0.01  -0.06     0.12   0.02  -0.08
    22   1    -0.00   0.00   0.01     0.00  -0.00   0.01    -0.02   0.01   0.03
    23   1     0.00  -0.00  -0.00     0.01  -0.00   0.00     0.01   0.00   0.00
    24   1    -0.01   0.04  -0.01     0.00  -0.01   0.00    -0.01   0.01  -0.00
    25   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    26   1     0.02   0.00  -0.01     0.00   0.00  -0.01    -0.03  -0.00  -0.01
    27   1     0.01   0.01  -0.00     0.01   0.03  -0.00     0.00   0.02  -0.00
    28   1    -0.00  -0.00  -0.00    -0.01  -0.04   0.01     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
    30   1    -0.00   0.00  -0.01    -0.00  -0.00  -0.01     0.02   0.01   0.03
    31   1     0.01   0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    32   1     0.52  -0.17   0.23    -0.13   0.07  -0.11     0.07  -0.01   0.01
    33   1     0.17   0.49   0.32    -0.06  -0.15  -0.10     0.02   0.05   0.03
    34   1    -0.01  -0.00  -0.00     0.18  -0.49  -0.32     0.01  -0.03  -0.02
    35   1     0.03  -0.02   0.04     0.52   0.18  -0.24     0.02   0.01  -0.02
    36   1     0.02  -0.03   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    37   1     0.00   0.00   0.02     0.02  -0.00   0.01     0.03  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.9733              1504.7246              1505.2980
 Red. masses --      1.0797                 1.0786                 1.0844
 Frc consts  --      1.4389                 1.4389                 1.4477
 IR Inten    --      6.6527                11.7075                 1.3624
 RamAct Fr= 1--     14.0864                10.6659                 1.4432
  Dep-P Fr= 1--      0.7011                 0.3111                 0.7468
  Dep-U Fr= 1--      0.8243                 0.4745                 0.8551
 Alpha2 Fr= 1--      0.0120                 0.1058                 0.0001
 Beta2  Fr= 1--      1.9353                 0.8436                 0.2057
 AlphaG Fr= 1--      0.0582                -0.2216                -0.0001
 Gamma2 Fr= 1--      4.0382                -1.5278                 2.6718
 Delta2 Fr= 1--      0.8736                -0.1431                 0.9789
 Raman1 Fr= 1--      56.345                 42.663                  5.773
 ROA1   Fr= 1--     415.622               -151.243                287.816
 CID1   Fr= 1--       7.376                 -3.545                 49.857
 Raman2 Fr= 1--      23.223                 10.123                  2.468
 ROA2   Fr= 1--      89.929                -35.521                 56.292
 CID2   Fr= 1--       3.872                 -3.509                 22.808
 Raman3 Fr= 1--      46.446                 20.246                  4.936
 ROA3   Fr= 1--     415.622               -151.243                287.816
 CID3   Fr= 1--       8.948                 -7.470                 58.308
 RC180  Fr= 1--       0.649                 -0.051                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.01  -0.02    -0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6    -0.03   0.01   0.02    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   7    -0.00   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00    -0.01  -0.01  -0.00    -0.01  -0.00  -0.00
     6   6     0.02   0.00   0.00    -0.04  -0.02  -0.01    -0.06  -0.01  -0.01
     7   6     0.01  -0.03   0.00    -0.00  -0.02   0.01     0.00  -0.02   0.00
     8   7    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   7     0.00  -0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    11   6     0.02  -0.00  -0.00    -0.04   0.02   0.01     0.05  -0.01  -0.01
    12   6     0.02   0.04  -0.00     0.00   0.03  -0.01    -0.00  -0.02   0.00
    13   7    -0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.00
    14   1    -0.12  -0.09   0.08     0.27   0.29  -0.15     0.32   0.32  -0.19
    15   1    -0.14   0.01  -0.10     0.34  -0.05   0.24     0.40  -0.07   0.28
    16   1     0.05   0.24   0.11     0.09   0.20   0.05     0.07   0.13   0.02
    17   1    -0.15   0.17  -0.15    -0.11   0.13  -0.13    -0.08   0.08  -0.08
    18   1     0.07  -0.32  -0.15     0.10  -0.24  -0.06    -0.07   0.14   0.03
    19   1    -0.19  -0.23   0.21    -0.13  -0.16   0.15     0.08   0.09  -0.08
    20   1    -0.15   0.12  -0.11     0.28  -0.31   0.15    -0.29   0.30  -0.18
    21   1    -0.18  -0.02   0.13     0.36   0.05  -0.25    -0.37  -0.06   0.26
    22   1    -0.00   0.01  -0.01     0.03  -0.03  -0.04     0.01  -0.01   0.01
    23   1    -0.01   0.00  -0.00    -0.03  -0.01  -0.01     0.01   0.00   0.00
    24   1    -0.00   0.02  -0.01     0.00  -0.02   0.03     0.00   0.02  -0.03
    25   1     0.00  -0.00  -0.00     0.01   0.02   0.01    -0.02  -0.01  -0.01
    26   1    -0.02  -0.00  -0.03    -0.01  -0.00  -0.01    -0.01  -0.00  -0.00
    27   1     0.02   0.04  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    28   1    -0.00  -0.02   0.01     0.00   0.02  -0.03    -0.00   0.02  -0.04
    29   1     0.00   0.00   0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.01
    30   1    -0.00  -0.01   0.01     0.03   0.03   0.03    -0.01  -0.01   0.01
    31   1    -0.00  -0.00   0.00    -0.02   0.01   0.01    -0.01   0.00   0.00
    32   1     0.29  -0.06   0.08     0.03  -0.00   0.00     0.00   0.00  -0.00
    33   1     0.08   0.24   0.16     0.01   0.02   0.01     0.00  -0.00  -0.00
    34   1     0.10  -0.28  -0.18     0.01  -0.02  -0.01    -0.00   0.00   0.00
    35   1     0.33   0.08  -0.10     0.03   0.00  -0.00    -0.01   0.00  -0.00
    36   1     0.02  -0.04   0.01     0.00  -0.01   0.00    -0.00   0.01  -0.00
    37   1    -0.02   0.00   0.03    -0.02   0.00   0.01     0.01  -0.00  -0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1641.1493              1654.4291              1656.5217
 Red. masses --      1.0766                 1.0781                 1.0815
 Frc consts  --      1.7084                 1.7386                 1.7485
 IR Inten    --    167.4825                 9.3212                16.6771
 RamAct Fr= 1--      0.0061                 5.6719                 4.5849
  Dep-P Fr= 1--      0.7500                 0.7493                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0009                 0.8098                 0.6550
 AlphaG Fr= 1--     -0.0000                 0.0022                 0.0000
 Gamma2 Fr= 1--     -0.0020                -0.6254                 3.3358
 Delta2 Fr= 1--     -0.0169                 3.1118                 3.9935
 Raman1 Fr= 1--       0.024                 22.688                 18.340
 ROA1   Fr= 1--      -0.737                 39.542                448.026
 CID1   Fr= 1--     -30.346                  1.743                 24.429
 Raman2 Fr= 1--       0.010                  9.718                  7.860
 ROA2   Fr= 1--       0.086                -39.904                 48.111
 CID2   Fr= 1--       8.279                 -4.106                  6.121
 Raman3 Fr= 1--       0.021                 19.436                 15.720
 ROA3   Fr= 1--      -0.737                 39.542                448.026
 CID3   Fr= 1--     -35.404                  2.034                 28.501
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.01  -0.02   0.02    -0.01   0.03  -0.02     0.01  -0.01   0.01
     4  45     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.01   0.02    -0.00   0.01   0.02     0.00  -0.02  -0.04
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00  -0.01
     7   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
     8   7    -0.01  -0.00   0.02    -0.01  -0.00   0.02    -0.01  -0.00   0.02
     9   7    -0.01  -0.02   0.02    -0.01  -0.03   0.02    -0.01  -0.01   0.01
    10   7     0.00   0.01   0.02    -0.00  -0.01  -0.02    -0.00  -0.02  -0.04
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.01
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.01   0.01   0.00
    13   7     0.01  -0.00   0.02    -0.01   0.00  -0.02     0.01  -0.00   0.02
    14   1    -0.01  -0.01   0.01     0.00   0.01   0.01    -0.01  -0.00   0.01
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.00    -0.01   0.03   0.00
    16   1    -0.01  -0.01   0.01     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    17   1     0.01   0.01  -0.01     0.01   0.01  -0.00     0.03  -0.01   0.01
    18   1     0.01  -0.01   0.01     0.00   0.00  -0.00    -0.01  -0.02  -0.02
    19   1    -0.01   0.01  -0.01     0.00  -0.01   0.00    -0.03  -0.01   0.01
    20   1     0.01  -0.01   0.01     0.00  -0.01  -0.01     0.01  -0.00   0.01
    21   1     0.02  -0.01  -0.01    -0.00   0.01   0.00     0.01   0.03   0.00
    22   1     0.08   0.02  -0.24    -0.08  -0.01   0.25    -0.14  -0.01   0.39
    23   1    -0.15  -0.18  -0.13     0.14   0.17   0.13     0.24   0.27   0.20
    24   1     0.06   0.06  -0.26    -0.04  -0.06   0.20     0.04   0.05  -0.18
    25   1    -0.24  -0.05  -0.14     0.18   0.04   0.11    -0.15  -0.05  -0.09
    26   1     0.10   0.05  -0.31     0.10   0.06  -0.35     0.06   0.03  -0.16
    27   1     0.03   0.32  -0.03     0.04   0.38  -0.03     0.02   0.17  -0.01
    28   1    -0.06   0.06  -0.26    -0.04   0.06  -0.20    -0.04   0.05  -0.18
    29   1     0.24  -0.04  -0.14     0.19  -0.04  -0.11     0.15  -0.05  -0.09
    30   1    -0.08   0.02  -0.24    -0.08   0.01  -0.23     0.14  -0.01   0.41
    31   1     0.15  -0.18  -0.13     0.13  -0.16  -0.12    -0.25   0.28   0.21
    32   1    -0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.01  -0.00   0.00
    33   1     0.02   0.01  -0.00     0.01  -0.01  -0.03     0.01  -0.00   0.00
    34   1    -0.02   0.01  -0.00     0.01   0.01   0.03    -0.01  -0.00  -0.00
    35   1     0.01  -0.00   0.00    -0.02  -0.01   0.01     0.01  -0.00   0.00
    36   1    -0.03   0.32  -0.03     0.04  -0.37   0.03    -0.03   0.19  -0.02
    37   1    -0.10   0.05  -0.30     0.10  -0.05   0.34    -0.07   0.03  -0.18
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.8911              1668.1543              1671.0253
 Red. masses --      1.0776                 1.0775                 1.0750
 Frc consts  --      1.7493                 1.7666                 1.7685
 IR Inten    --      0.9984                 2.2504                39.5001
 RamAct Fr= 1--     12.0826                 4.1902                 1.6521
  Dep-P Fr= 1--      0.7481                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8559                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0000
 Beta2  Fr= 1--      1.7236                 0.5985                 0.2360
 AlphaG Fr= 1--      0.0038                -0.0005                -0.0000
 Gamma2 Fr= 1--    -14.9119                 7.0594                 3.7967
 Delta2 Fr= 1--     -6.1537                 1.4026                 0.3516
 Raman1 Fr= 1--      48.330                 16.761                  6.609
 ROA1   Fr= 1--   -1628.466                722.588                375.729
 CID1   Fr= 1--     -33.695                 43.112                 56.855
 Raman2 Fr= 1--      20.683                  7.182                  2.832
 ROA2   Fr= 1--    -308.657                158.206                 88.307
 CID2   Fr= 1--     -14.923                 22.027                 31.180
 Raman3 Fr= 1--      41.366                 14.365                  5.664
 ROA3   Fr= 1--   -1628.466                722.588                375.729
 CID3   Fr= 1--     -39.367                 50.303                 66.331
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
     3   7     0.00  -0.01   0.00    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.01  -0.02     0.00  -0.02  -0.03     0.00  -0.00  -0.00
     6   6     0.01  -0.00  -0.01     0.01   0.00  -0.01    -0.00   0.00   0.00
     7   6    -0.00   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00  -0.01
     8   7    -0.02  -0.01   0.04     0.01   0.00  -0.01     0.02   0.00  -0.03
     9   7     0.00   0.01  -0.00    -0.01  -0.02   0.02    -0.01  -0.02   0.02
    10   7     0.00   0.01   0.02     0.00   0.02   0.03    -0.00  -0.00  -0.00
    11   6     0.01   0.00   0.01     0.01  -0.00   0.01     0.00   0.00   0.00
    12   6    -0.00  -0.01  -0.01    -0.00  -0.00   0.00    -0.00  -0.00  -0.01
    13   7    -0.02   0.01  -0.04     0.01  -0.00   0.01    -0.02   0.00  -0.03
    14   1    -0.02  -0.02   0.02    -0.01  -0.02  -0.00     0.01   0.01  -0.01
    15   1    -0.03   0.02  -0.01    -0.01   0.02   0.00     0.02  -0.01   0.01
    16   1    -0.01  -0.02  -0.01    -0.00  -0.01  -0.01     0.01   0.01  -0.00
    17   1     0.03   0.00   0.00     0.01  -0.02   0.01    -0.02  -0.01   0.01
    18   1    -0.01   0.02   0.01    -0.00   0.01   0.01    -0.01   0.01  -0.00
    19   1     0.03  -0.00  -0.00     0.01   0.02  -0.01     0.02  -0.01   0.01
    20   1    -0.02   0.02  -0.02    -0.01   0.02   0.00    -0.01   0.00  -0.01
    21   1    -0.03  -0.02   0.01    -0.01  -0.02  -0.00    -0.02  -0.01   0.01
    22   1     0.07   0.02  -0.24     0.11   0.01  -0.33     0.00  -0.01   0.02
    23   1    -0.14  -0.16  -0.12    -0.20  -0.23  -0.17     0.02   0.02   0.02
    24   1    -0.09  -0.10   0.40     0.03   0.02  -0.14    -0.08  -0.09   0.35
    25   1     0.36   0.07   0.21    -0.12  -0.03  -0.07     0.31   0.06   0.19
    26   1    -0.01  -0.01   0.08     0.09   0.05  -0.30     0.09   0.05  -0.31
    27   1    -0.01  -0.08   0.01     0.04   0.32  -0.03     0.03   0.33  -0.03
    28   1    -0.09   0.09  -0.40     0.04  -0.02   0.15     0.08  -0.09   0.35
    29   1     0.36  -0.07  -0.21    -0.13   0.03   0.08    -0.31   0.06   0.18
    30   1     0.07  -0.02   0.23     0.11  -0.01   0.34    -0.00  -0.01   0.01
    31   1    -0.14   0.16   0.12    -0.20   0.23   0.17    -0.01   0.01   0.01
    32   1     0.01  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.01   0.01
    33   1    -0.00   0.01   0.01     0.01  -0.02  -0.03     0.02   0.01   0.00
    34   1    -0.00  -0.01  -0.01     0.01   0.02   0.03    -0.02   0.01   0.00
    35   1     0.01   0.01  -0.01    -0.02  -0.01   0.01    -0.00  -0.01   0.01
    36   1    -0.01   0.07  -0.01     0.04  -0.31   0.03    -0.03   0.33  -0.03
    37   1    -0.01   0.01  -0.08     0.09  -0.05   0.29    -0.09   0.05  -0.32
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3069.1632              3069.2449              3071.5029
 Red. masses --      1.0634                 1.0634                 1.0631
 Frc consts  --      5.9019                 5.9023                 5.9089
 IR Inten    --      3.9519                 7.1829                 5.7899
 RamAct Fr= 1--    367.5986               106.2933               214.7558
  Dep-P Fr= 1--      0.0237                 0.0931                 0.0421
  Dep-U Fr= 1--      0.0464                 0.1703                 0.0809
 Alpha2 Fr= 1--      7.7271                 1.8927                 4.3221
 Beta2  Fr= 1--      2.8401                 3.0172                 2.8942
 AlphaG Fr= 1--     -1.4257                -0.3527                 0.2985
 Gamma2 Fr= 1--    -24.3210                15.9250                 8.3483
 Delta2 Fr= 1--    -13.9168                12.1662                 7.3033
 Raman1 Fr= 1--    1470.394                425.173                859.023
 ROA1   Fr= 1--   -2780.152               1918.119               1035.137
 CID1   Fr= 1--      -1.891                  4.511                  1.205
 Raman2 Fr= 1--      34.081                 36.207                 34.730
 ROA2   Fr= 1--    -472.369                284.871                141.932
 CID2   Fr= 1--     -13.860                  7.868                  4.087
 Raman3 Fr= 1--      68.162                 72.413                 69.460
 ROA3   Fr= 1--   -2780.152               1918.119               1035.137
 CID3   Fr= 1--     -40.788                 26.489                 14.903
 RC180  Fr= 1--      -0.907                 -0.659                 -0.838
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.03   0.03   0.03
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.03  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4  45    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.04  -0.00   0.01     0.01  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.03   0.05  -0.01    -0.01   0.02  -0.01    -0.00   0.00  -0.00
     8   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.01   0.00  -0.00    -0.04  -0.00   0.01     0.00  -0.00  -0.00
    12   6    -0.01  -0.02   0.00     0.02   0.05  -0.01    -0.00  -0.00   0.00
    13   7     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1    -0.31   0.16  -0.32    -0.10   0.05  -0.10    -0.01   0.01  -0.02
    15   1    -0.12  -0.16   0.17    -0.04  -0.05   0.05    -0.01  -0.01   0.01
    16   1     0.42  -0.24   0.44     0.14  -0.08   0.15     0.00  -0.00   0.01
    17   1    -0.13  -0.30  -0.26    -0.05  -0.11  -0.09    -0.00  -0.00  -0.00
    18   1     0.14   0.08  -0.15    -0.41  -0.24   0.44     0.00   0.00  -0.00
    19   1    -0.04   0.10   0.08     0.13  -0.30  -0.26    -0.00   0.00   0.00
    20   1    -0.11  -0.06   0.11     0.31   0.16  -0.32    -0.01  -0.01   0.02
    21   1    -0.04   0.06  -0.06     0.12  -0.17   0.17    -0.01   0.01  -0.01
    22   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23   1     0.00   0.00  -0.00    -0.00  -0.00   0.01    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    27   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    28   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    31   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.01   0.01    -0.00  -0.01  -0.01    -0.01  -0.52  -0.27
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.29   0.21  -0.11
    34   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.30  -0.22   0.11
    35   1     0.00  -0.02  -0.01     0.00   0.01   0.00    -0.01   0.53   0.27
    36   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3075.0342              3075.3234              3076.4682
 Red. masses --      1.0604                 1.0605                 1.0604
 Frc consts  --      5.9075                 5.9094                 5.9133
 IR Inten    --      0.2153                17.0196                 9.0921
 RamAct Fr= 1--     83.5173                23.0407                51.1299
  Dep-P Fr= 1--      0.5392                 0.7454                 0.7495
  Dep-U Fr= 1--      0.7006                 0.8541                 0.8568
 Alpha2 Fr= 1--      0.3389                 0.0018                 0.0004
 Beta2  Fr= 1--      9.7525                 3.2798                 7.3018
 AlphaG Fr= 1--     -0.1057                -0.0005                -0.0000
 Gamma2 Fr= 1--      7.7681                10.0919                -6.7847
 Delta2 Fr= 1--      6.9396                 5.4662                -6.1110
 Raman1 Fr= 1--     334.069                 92.163                204.520
 ROA1   Fr= 1--     967.808               1143.739               -846.886
 CID1   Fr= 1--       2.897                 12.410                 -4.141
 Raman2 Fr= 1--     117.029                 39.358                 87.621
 ROA2   Fr= 1--     130.918                198.476               -113.946
 CID2   Fr= 1--       1.119                  5.043                 -1.300
 Raman3 Fr= 1--     234.059                 78.716                175.242
 ROA3   Fr= 1--     967.808               1143.739               -846.886
 CID3   Fr= 1--       4.135                 14.530                 -4.833
 RC180  Fr= 1--       0.401                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.01  -0.03
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.04   0.01   0.00    -0.04  -0.01  -0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.03   0.00    -0.01   0.03   0.00    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    11   6     0.04  -0.01  -0.00     0.04  -0.01  -0.00     0.00  -0.00  -0.00
    12   6     0.01   0.03  -0.00     0.01   0.03  -0.00     0.00   0.00  -0.00
    13   7    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.27   0.14  -0.27     0.28  -0.15   0.29     0.00  -0.00   0.00
    15   1    -0.17  -0.24   0.24     0.19   0.26  -0.26     0.00   0.00  -0.00
    16   1    -0.17   0.10  -0.18     0.18  -0.10   0.18     0.00  -0.00   0.00
    17   1     0.09   0.21   0.17    -0.10  -0.22  -0.18    -0.00  -0.00  -0.00
    18   1    -0.19  -0.11   0.20    -0.17  -0.10   0.18    -0.00  -0.00   0.00
    19   1     0.10  -0.22  -0.19     0.09  -0.21  -0.18     0.00  -0.00  -0.00
    20   1    -0.28  -0.15   0.28    -0.27  -0.14   0.27    -0.00  -0.00   0.00
    21   1    -0.18   0.25  -0.25    -0.18   0.24  -0.24    -0.00   0.00  -0.00
    22   1     0.01   0.00  -0.00     0.01  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.01
    28   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    29   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   1     0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    32   1     0.00   0.01   0.01    -0.00  -0.01  -0.00     0.00   0.44   0.23
    33   1     0.01  -0.01   0.00    -0.01   0.00  -0.00     0.40  -0.28   0.15
    34   1     0.01   0.01  -0.00     0.00   0.00  -0.00    -0.39  -0.28   0.15
    35   1     0.00  -0.01  -0.01     0.00  -0.01  -0.00    -0.01   0.43   0.22
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.4483              3115.5192              3116.3548
 Red. masses --      1.1072                 1.1072                 1.1077
 Frc consts  --      6.3317                 6.3320                 6.3384
 IR Inten    --     12.4873                 4.6093                 6.7539
 RamAct Fr= 1--    148.3770               185.9008               164.8019
  Dep-P Fr= 1--      0.7483                 0.2274                 0.3361
  Dep-U Fr= 1--      0.8561                 0.3706                 0.5032
 Alpha2 Fr= 1--      0.0042                 2.3450                 1.5124
 Beta2  Fr= 1--     21.1699                11.4825                13.8203
 AlphaG Fr= 1--      0.0003                 0.2363                -0.7141
 Gamma2 Fr= 1--    -60.9318                 2.9751                34.9366
 Delta2 Fr= 1--    -47.2258                 5.3929                11.1494
 Raman1 Fr= 1--     593.508                743.603                659.208
 ROA1   Fr= 1--   -7360.678                458.181               3710.698
 CID1   Fr= 1--     -12.402                  0.616                  5.629
 Raman2 Fr= 1--     254.039                137.789                165.843
 ROA2   Fr= 1--   -1084.557                 28.259                749.284
 CID2   Fr= 1--      -4.269                  0.205                  4.518
 Raman3 Fr= 1--     508.077                275.579                331.686
 ROA3   Fr= 1--   -7360.678                458.181               3710.698
 CID3   Fr= 1--     -14.487                  1.663                 11.187
 RC180  Fr= 1--       0.712                 -0.259                  0.006
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.04   0.05  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.04  -0.05   0.00
     3   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.03   0.04     0.00   0.03  -0.03     0.00   0.00  -0.00
     7   6    -0.03  -0.02  -0.04     0.02   0.02   0.04     0.00   0.00   0.00
     8   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.03   0.03     0.00  -0.03   0.04     0.00  -0.00   0.00
    12   6     0.02  -0.02  -0.04     0.03  -0.02  -0.04     0.00  -0.00  -0.00
    13   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   1    -0.17   0.08  -0.16     0.15  -0.08   0.15     0.01  -0.01   0.01
    15   1     0.20   0.26  -0.26    -0.18  -0.24   0.24    -0.02  -0.02   0.02
    16   1     0.18  -0.11   0.19    -0.16   0.10  -0.17    -0.01   0.01  -0.02
    17   1     0.14   0.35   0.28    -0.13  -0.32  -0.26    -0.01  -0.03  -0.02
    18   1    -0.16  -0.10   0.17    -0.18  -0.11   0.18    -0.01  -0.01   0.01
    19   1    -0.13   0.32   0.26    -0.14   0.34   0.28    -0.01   0.03   0.02
    20   1     0.15   0.08  -0.15     0.17   0.09  -0.17     0.01   0.01  -0.01
    21   1    -0.19   0.24  -0.24    -0.20   0.26  -0.26    -0.02   0.02  -0.02
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    23   1    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.00
    24   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1     0.01   0.00  -0.01     0.01  -0.00  -0.01     0.00   0.00  -0.00
    26   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01   0.02   0.00
    27   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   1    -0.01   0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.00   0.01  -0.01    -0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.01  -0.33  -0.17
    33   1     0.00  -0.00   0.00    -0.04   0.03  -0.02     0.47  -0.31   0.19
    34   1     0.00   0.00  -0.00    -0.04  -0.03   0.02     0.47   0.32  -0.19
    35   1     0.00   0.00   0.00     0.00  -0.03  -0.02    -0.01   0.33   0.18
    36   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.7816              3125.7933              3127.1169
 Red. masses --      1.1101                 1.1102                 1.1100
 Frc consts  --      6.3905                 6.3908                 6.3954
 IR Inten    --      3.6084                 5.2895                 3.1284
 RamAct Fr= 1--     32.7409                79.8760                57.4011
  Dep-P Fr= 1--      0.7500                 0.7492                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0010                 0.0000
 Beta2  Fr= 1--      4.6772                11.4043                 8.2002
 AlphaG Fr= 1--      0.0001                 0.0021                -0.0000
 Gamma2 Fr= 1--     22.0998                47.3253               -37.0040
 Delta2 Fr= 1--      4.4029                 5.9499                -3.8895
 Raman1 Fr= 1--     130.964                319.504                229.604
 ROA1   Fr= 1--    2262.477               4733.629              -3676.851
 CID1   Fr= 1--      17.276                 14.816                -16.014
 Raman2 Fr= 1--      56.126                136.852                 98.402
 ROA2   Fr= 1--     495.173               1088.208               -856.980
 CID2   Fr= 1--       8.822                  7.952                 -8.709
 Raman3 Fr= 1--     112.252                273.704                196.804
 ROA3   Fr= 1--    2262.477               4733.629              -3676.851
 CID3   Fr= 1--      20.155                 17.295                -18.683
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.03  -0.06  -0.01
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.03  -0.06  -0.01
     3   7    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4  45    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.02   0.03    -0.01   0.04  -0.05    -0.00   0.00  -0.00
     7   6     0.02   0.01   0.03    -0.03  -0.01  -0.04    -0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    10   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.01  -0.04   0.05    -0.00  -0.02   0.03     0.00   0.00  -0.00
    12   6    -0.03   0.01   0.04    -0.02   0.01   0.03     0.00  -0.00  -0.00
    13   7     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1    -0.19   0.10  -0.19     0.30  -0.15   0.29     0.01  -0.01   0.01
    15   1     0.14   0.18  -0.18    -0.21  -0.27   0.27    -0.01  -0.01   0.01
    16   1    -0.16   0.10  -0.17     0.25  -0.15   0.26     0.01  -0.01   0.01
    17   1    -0.07  -0.19  -0.15     0.12   0.29   0.24     0.00   0.01   0.01
    18   1     0.25   0.15  -0.26     0.17   0.10  -0.17    -0.01  -0.01   0.01
    19   1     0.12  -0.29  -0.24     0.08  -0.19  -0.16    -0.00   0.01   0.01
    20   1     0.29   0.15  -0.29     0.19   0.10  -0.19    -0.01  -0.01   0.01
    21   1    -0.21   0.27  -0.27    -0.14   0.18  -0.18     0.01  -0.01   0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.01  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.01     0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02  -0.01
    27   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    29   1     0.01   0.00   0.01    -0.01  -0.00  -0.01    -0.00   0.00  -0.00
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.00  -0.01   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    32   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.01   0.45   0.24
    33   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.38   0.26  -0.16
    34   1     0.02   0.01  -0.01    -0.00  -0.00   0.00     0.38   0.26  -0.15
    35   1    -0.00   0.02   0.01     0.00  -0.00  -0.00    -0.01   0.45   0.24
    36   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01  -0.02  -0.01
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.8252              3431.9629              3432.0150
 Red. masses --      1.0525                 1.0525                 1.0524
 Frc consts  --      7.3031                 7.3042                 7.3035
 IR Inten    --     51.1390               108.4899                92.3411
 RamAct Fr= 1--      5.7846                 1.8110                 2.4186
  Dep-P Fr= 1--      0.7140                 0.7264                 0.7328
  Dep-U Fr= 1--      0.8331                 0.8416                 0.8458
 Alpha2 Fr= 1--      0.0036                 0.0007                 0.0007
 Beta2  Fr= 1--      0.8032                 0.2540                 0.3409
 AlphaG Fr= 1--      0.0075                 0.0130                 0.0148
 Gamma2 Fr= 1--     16.4854                 4.7159                 6.8230
 Delta2 Fr= 1--     -0.2285                -0.4476                -0.5998
 Raman1 Fr= 1--      23.138                  7.244                  9.674
 ROA1   Fr= 1--    1575.287                438.406                635.819
 CID1   Fr= 1--      68.081                 60.519                 65.721
 Raman2 Fr= 1--       9.639                  3.048                  4.091
 ROA2   Fr= 1--     397.477                116.763                168.551
 CID2   Fr= 1--      41.237                 38.306                 41.198
 Raman3 Fr= 1--      19.278                  6.096                  8.182
 ROA3   Fr= 1--    1575.287                438.406                635.819
 CID3   Fr= 1--      81.716                 71.914                 77.705
 RC180  Fr= 1--       0.666                  0.683                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     3   7     0.00  -0.02   0.02     0.00  -0.02   0.02    -0.00   0.01  -0.01
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.00   0.00   0.02    -0.01   0.00   0.03     0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7     0.01  -0.00  -0.03    -0.01   0.00   0.02    -0.00   0.00   0.02
     9   7    -0.00  -0.02   0.01     0.00   0.01  -0.01    -0.00  -0.03   0.03
    10   7     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.04
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.01   0.00   0.03     0.00   0.00   0.01
    14   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.01   0.00  -0.01
    21   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    22   1    -0.07  -0.06  -0.02     0.02   0.01   0.00    -0.31  -0.24  -0.09
    23   1     0.05   0.04  -0.10    -0.01  -0.01   0.02     0.21   0.17  -0.42
    24   1     0.27   0.11   0.07    -0.27  -0.11  -0.07    -0.14  -0.06  -0.04
    25   1    -0.19  -0.06   0.30     0.19   0.06  -0.31     0.09   0.03  -0.15
    26   1    -0.03   0.26   0.05     0.01  -0.09  -0.02    -0.05   0.46   0.09
    27   1     0.04  -0.04  -0.25    -0.01   0.02   0.09     0.06  -0.07  -0.44
    28   1    -0.27   0.11   0.07     0.23  -0.09  -0.06     0.16  -0.06  -0.04
    29   1     0.19  -0.06   0.30    -0.16   0.05  -0.25    -0.11   0.04  -0.18
    30   1     0.14  -0.11  -0.04     0.27  -0.21  -0.07    -0.04   0.03   0.01
    31   1    -0.09   0.08  -0.19    -0.18   0.14  -0.36     0.03  -0.02   0.05
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    36   1    -0.05  -0.06  -0.38    -0.05  -0.06  -0.36     0.01   0.02   0.09
    37   1     0.04   0.40   0.07     0.04   0.38   0.07    -0.01  -0.09  -0.02
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.0245              3433.1473              3434.1356
 Red. masses --      1.0529                 1.0527                 1.0528
 Frc consts  --      7.3112                 7.3105                 7.3150
 IR Inten    --      4.8974                 1.7810                 0.0964
 RamAct Fr= 1--     25.1380                16.6648               484.5515
  Dep-P Fr= 1--      0.6583                 0.7217                 0.0130
  Dep-U Fr= 1--      0.7939                 0.8384                 0.0256
 Alpha2 Fr= 1--      0.0412                 0.0081                10.4461
 Beta2  Fr= 1--      3.3263                 2.3285                 2.0681
 AlphaG Fr= 1--     -0.0698                -0.0049                -0.0683
 Gamma2 Fr= 1--     -4.6656                -6.2317               -13.6325
 Delta2 Fr= 1--     -1.1397                 1.0376                -3.3417
 Raman1 Fr= 1--     100.552                 66.659               1938.206
 ROA1   Fr= 1--    -484.371               -565.039              -1415.651
 CID1   Fr= 1--      -4.817                 -8.477                 -0.730
 Raman2 Fr= 1--      39.916                 27.942                 24.817
 ROA2   Fr= 1--    -102.857               -157.861               -300.446
 CID2   Fr= 1--      -2.577                 -5.650                -12.106
 Raman3 Fr= 1--      79.832                 55.884                 49.634
 ROA3   Fr= 1--    -484.371               -565.039              -1415.651
 CID3   Fr= 1--      -6.067                -10.111                -28.522
 RC180  Fr= 1--       0.588                  0.677                 -0.949
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   7    -0.00   0.01  -0.01     0.00  -0.02   0.02    -0.00   0.02  -0.02
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00   0.02     0.01  -0.00  -0.03    -0.00   0.00   0.02
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   7    -0.01   0.00   0.03    -0.00   0.00   0.01     0.00  -0.00  -0.02
     9   7    -0.00  -0.01   0.01    -0.00  -0.02   0.02    -0.00  -0.02   0.02
    10   7    -0.00  -0.00  -0.01    -0.01  -0.00  -0.03    -0.00  -0.00  -0.03
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.03     0.00   0.00   0.00     0.00   0.00   0.02
    14   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    18   1    -0.00  -0.00   0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   1    -0.00   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    22   1     0.11   0.09   0.03     0.27   0.21   0.07     0.21   0.17   0.06
    23   1    -0.07  -0.06   0.15    -0.18  -0.15   0.37    -0.14  -0.12   0.29
    24   1     0.34   0.14   0.09    -0.05  -0.02  -0.01    -0.21  -0.09  -0.05
    25   1    -0.24  -0.08   0.39     0.03   0.01  -0.05     0.14   0.05  -0.23
    26   1    -0.01   0.13   0.02    -0.03   0.30   0.06    -0.03   0.31   0.06
    27   1     0.02  -0.02  -0.12     0.04  -0.05  -0.30     0.04  -0.05  -0.29
    28   1     0.34  -0.14  -0.08     0.13  -0.05  -0.03    -0.21   0.09   0.05
    29   1    -0.24   0.08  -0.38    -0.09   0.03  -0.14     0.15  -0.05   0.24
    30   1     0.18  -0.14  -0.05    -0.26   0.20   0.07     0.21  -0.16  -0.06
    31   1    -0.12   0.09  -0.24     0.17  -0.14   0.35    -0.14   0.11  -0.28
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.02   0.03   0.17    -0.04  -0.04  -0.26     0.04   0.04   0.27
    37   1    -0.02  -0.18  -0.03     0.03   0.27   0.05    -0.03  -0.29  -0.05
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6467              3480.8920              3482.1400
 Red. masses --      1.0925                 1.0926                 1.0930
 Frc consts  --      7.7981                 7.8001                 7.8081
 IR Inten    --     21.1383                42.2954                22.3241
 RamAct Fr= 1--     27.2768                24.5883                31.7232
  Dep-P Fr= 1--      0.7442                 0.5645                 0.6947
  Dep-U Fr= 1--      0.8534                 0.7217                 0.8199
 Alpha2 Fr= 1--      0.0027                 0.0864                 0.0307
 Beta2  Fr= 1--      3.8795                 2.9574                 4.3348
 AlphaG Fr= 1--      0.0118                 0.3477                -0.1292
 Gamma2 Fr= 1--    -39.1462                41.4689               -28.9533
 Delta2 Fr= 1--    -15.0419                21.1120               -13.0339
 Raman1 Fr= 1--     109.107                 98.353                126.893
 ROA1   Fr= 1--   -4239.378               4656.599              -3196.597
 CID1   Fr= 1--     -38.855                 47.346                -25.191
 Raman2 Fr= 1--      46.555                 35.489                 52.018
 ROA2   Fr= 1--    -819.174                826.357               -590.607
 CID2   Fr= 1--     -17.596                 23.285                -11.354
 Raman3 Fr= 1--      93.109                 70.978                104.035
 ROA3   Fr= 1--   -4239.378               4656.599              -3196.597
 CID3   Fr= 1--     -45.531                 65.607                -30.726
 RC180  Fr= 1--       0.707                  0.443                  0.640
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.01  -0.01     0.00   0.01   0.00    -0.01  -0.05  -0.05
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
     6   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   7     0.04  -0.01   0.01    -0.06   0.02  -0.02    -0.01   0.00  -0.00
     9   7     0.00  -0.01  -0.01     0.00  -0.00  -0.00    -0.00   0.02   0.02
    10   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.02  -0.02   0.01
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.06  -0.02   0.02    -0.04  -0.02   0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    15   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    16   1    -0.01   0.00  -0.01     0.01  -0.01   0.01     0.00  -0.00   0.00
    17   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    18   1     0.01   0.01  -0.01     0.01   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22   1     0.04   0.03   0.01    -0.05  -0.04  -0.02     0.21   0.16   0.07
    23   1     0.01   0.01  -0.03    -0.02  -0.01   0.04     0.08   0.07  -0.18
    24   1     0.55   0.23   0.17     0.39   0.16   0.12    -0.02  -0.01  -0.01
    25   1     0.25   0.08  -0.44     0.17   0.06  -0.31    -0.01  -0.00   0.01
    26   1    -0.01   0.11   0.02    -0.00   0.01   0.00     0.02  -0.20  -0.03
    27   1    -0.02   0.01   0.12    -0.00   0.00   0.00     0.03  -0.02  -0.21
    28   1    -0.37   0.15   0.11     0.56  -0.23  -0.17     0.10  -0.04  -0.03
    29   1    -0.17   0.05  -0.30     0.25  -0.08   0.44     0.05  -0.02   0.09
    30   1    -0.05   0.04   0.01    -0.03   0.02   0.01     0.09  -0.07  -0.03
    31   1    -0.02   0.01  -0.04    -0.01   0.01  -0.02     0.04  -0.03   0.08
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
    33   1    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.02   0.01
    36   1     0.02   0.01   0.12    -0.01  -0.01  -0.06     0.08   0.07   0.62
    37   1     0.01   0.11   0.02    -0.01  -0.06  -0.01     0.06   0.59   0.08
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3482.3000              3482.8984              3483.1671
 Red. masses --      1.0929                 1.0927                 1.0924
 Frc consts  --      7.8087                 7.8096                 7.8089
 IR Inten    --     53.8995                33.5367                28.8688
 RamAct Fr= 1--     11.3581                50.2308                23.3804
  Dep-P Fr= 1--      0.7044                 0.7069                 0.7443
  Dep-U Fr= 1--      0.8266                 0.8283                 0.8534
 Alpha2 Fr= 1--      0.0090                 0.0376                 0.0023
 Beta2  Fr= 1--      1.5647                 6.9343                 3.3255
 AlphaG Fr= 1--     -0.0299                 0.2944                 0.0156
 Gamma2 Fr= 1--    -13.3927                54.9667               -22.6854
 Delta2 Fr= 1--     -4.9709                 8.1777                 3.1793
 Raman1 Fr= 1--      45.432                200.923                 93.522
 ROA1   Fr= 1--   -1444.766               5538.493              -2076.058
 CID1   Fr= 1--     -31.800                 27.565                -22.199
 Raman2 Fr= 1--      18.776                 83.212                 39.906
 ROA2   Fr= 1--    -281.657               1253.779               -569.883
 CID2   Fr= 1--     -15.001                 15.067                -14.281
 Raman3 Fr= 1--      37.552                166.424                 79.811
 ROA3   Fr= 1--   -1444.766               5538.493              -2076.058
 CID3   Fr= 1--     -38.474                 33.279                -26.012
 RC180  Fr= 1--       0.653                  0.657                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.01  -0.01
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7     0.02  -0.02   0.01    -0.03   0.02  -0.01    -0.05   0.04  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.01   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9   7     0.01  -0.05  -0.05     0.00  -0.01  -0.01     0.00  -0.02  -0.02
    10   7    -0.00  -0.00   0.00    -0.05  -0.04   0.02     0.03   0.02  -0.01
    11   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.01  -0.00   0.01
    15   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1     0.00  -0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.01
    21   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22   1     0.03   0.02   0.01     0.46   0.35   0.15    -0.31  -0.24  -0.10
    23   1     0.01   0.01  -0.03     0.19   0.16  -0.42    -0.12  -0.10   0.28
    24   1    -0.12  -0.05  -0.04     0.02   0.01   0.01     0.01   0.01   0.00
    25   1    -0.06  -0.02   0.10     0.01   0.00  -0.02     0.01   0.00  -0.01
    26   1    -0.06   0.59   0.08    -0.02   0.17   0.02    -0.02   0.19   0.03
    27   1    -0.08   0.07   0.61    -0.02   0.02   0.17    -0.03   0.02   0.20
    28   1     0.10  -0.04  -0.03     0.03  -0.01  -0.01    -0.01   0.00   0.00
    29   1     0.04  -0.01   0.08     0.01  -0.00   0.02    -0.00   0.00  -0.01
    30   1    -0.20   0.15   0.07     0.29  -0.22  -0.10     0.47  -0.36  -0.16
    31   1    -0.08   0.06  -0.17     0.12  -0.10   0.26     0.19  -0.16   0.43
    32   1     0.00   0.02   0.01     0.00   0.00   0.00     0.00   0.01   0.00
    33   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
    36   1     0.03   0.02   0.21    -0.03  -0.02  -0.22     0.02   0.01   0.12
    37   1     0.02   0.20   0.03    -0.02  -0.21  -0.03     0.01   0.11   0.02

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2547.093632591.510643900.78218
           X            1.00000  -0.00006  -0.00000
           Y            0.00006   1.00000   0.00026
           Z            0.00000  -0.00026   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03401     0.03342     0.02220
 Rotational constants (GHZ):           0.70855     0.69641     0.46266
 Zero-point vibrational energy     925914.5 (Joules/Mol)
                                  221.29887 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    125.48   130.13   160.24   204.91   207.06
          (Kelvin)            231.08   308.06   308.85   314.55   356.95
                              422.83   438.84   439.33   467.88   477.79
                              573.96   579.96   582.98   662.93   667.76
                              721.75   772.46   782.07   797.71   983.74
                              994.33  1027.00  1037.28  1086.20  1110.96
                             1246.30  1247.29  1248.02  1250.15  1251.96
                             1260.27  1411.51  1414.26  1414.77  1438.09
                             1441.48  1448.70  1509.25  1509.29  1510.68
                             1603.74  1603.89  1614.80  1682.99  1686.56
                             1708.65  1756.70  1763.73  1790.71  1859.30
                             1860.15  1867.88  1915.12  1917.03  1930.08
                             1939.09  1939.60  1944.79  2020.70  2021.55
                             2025.28  2075.69  2077.31  2080.10  2162.24
                             2162.40  2163.42  2163.88  2164.96  2165.79
                             2361.25  2380.35  2383.37  2388.21  2400.10
                             2404.23  4415.84  4415.96  4419.21  4424.29
                             4424.70  4426.35  4482.44  4482.54  4483.74
                             4497.30  4497.32  4499.22  4937.63  4937.83
                             4937.90  4939.36  4939.53  4940.96  5007.87
                             5008.23  5010.02  5010.25  5011.11  5011.50
 
 Zero-point correction=                           0.352662 (Hartree/Particle)
 Thermal correction to Energy=                    0.367665
 Thermal correction to Enthalpy=                  0.368609
 Thermal correction to Gibbs Free Energy=         0.312257
 Sum of electronic and zero-point Energies=           -681.283147
 Sum of electronic and thermal Energies=              -681.268145
 Sum of electronic and thermal Enthalpies=            -681.267200
 Sum of electronic and thermal Free Energies=         -681.323553
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.713             60.557            118.604
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.621
 Vibrational            228.936             54.595             44.163
 Vibration     1          0.601              1.958              3.722
 Vibration     2          0.602              1.956              3.650
 Vibration     3          0.607              1.940              3.245
 Vibration     4          0.616              1.911              2.771
 Vibration     5          0.616              1.909              2.751
 Vibration     6          0.622              1.891              2.543
 Vibration     7          0.644              1.819              2.008
 Vibration     8          0.645              1.819              2.004
 Vibration     9          0.646              1.813              1.970
 Vibration    10          0.662              1.766              1.744
 Vibration    11          0.689              1.685              1.452
 Vibration    12          0.696              1.664              1.389
 Vibration    13          0.696              1.664              1.387
 Vibration    14          0.709              1.625              1.284
 Vibration    15          0.714              1.611              1.250
 Vibration    16          0.765              1.472              0.967
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.770              1.459              0.944
 Vibration    19          0.819              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.857              1.246              0.654
 Vibration    22          0.892              1.168              0.572
 Vibration    23          0.899              1.154              0.558
 Vibration    24          0.910              1.130              0.535
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.235523-143       -143.627967       -330.715616
 Total V=0       0.384803D+19         18.585239         42.794094
 Vib (Bot)       0.692506-158       -158.159577       -364.175884
 Vib (Bot)    1  0.235862D+01          0.372658          0.858078
 Vib (Bot)    2  0.227316D+01          0.356629          0.821170
 Vib (Bot)    3  0.183848D+01          0.264460          0.608941
 Vib (Bot)    4  0.142675D+01          0.154348          0.355400
 Vib (Bot)    5  0.141137D+01          0.149642          0.344564
 Vib (Bot)    6  0.125849D+01          0.099851          0.229916
 Vib (Bot)    7  0.926090D+00         -0.033347         -0.076784
 Vib (Bot)    8  0.923523D+00         -0.034552         -0.079560
 Vib (Bot)    9  0.905292D+00         -0.043211         -0.099497
 Vib (Bot)   10  0.787388D+00         -0.103811         -0.239034
 Vib (Bot)   11  0.649336D+00         -0.187530         -0.431805
 Vib (Bot)   12  0.621745D+00         -0.206388         -0.475226
 Vib (Bot)   13  0.620925D+00         -0.206961         -0.476545
 Vib (Bot)   14  0.576263D+00         -0.239379         -0.551192
 Vib (Bot)   15  0.561925D+00         -0.250321         -0.576386
 Vib (Bot)   16  0.447149D+00         -0.349548         -0.804863
 Vib (Bot)   17  0.441173D+00         -0.355391         -0.818318
 Vib (Bot)   18  0.438199D+00         -0.358329         -0.825082
 Vib (Bot)   19  0.368912D+00         -0.433077         -0.997197
 Vib (Bot)   20  0.365228D+00         -0.437436         -1.007234
 Vib (Bot)   21  0.327155D+00         -0.485246         -1.117321
 Vib (Bot)   22  0.295965D+00         -0.528759         -1.217513
 Vib (Bot)   23  0.290490D+00         -0.536869         -1.236187
 Vib (Bot)   24  0.281841D+00         -0.549995         -1.266411
 Vib (V=0)       0.113143D+05          4.053629          9.333827
 Vib (V=0)    1  0.291104D+01          0.464048          1.068509
 Vib (V=0)    2  0.282750D+01          0.451402          1.039392
 Vib (V=0)    3  0.240526D+01          0.381162          0.877659
 Vib (V=0)    4  0.201183D+01          0.303591          0.699043
 Vib (V=0)    5  0.199732D+01          0.300448          0.691808
 Vib (V=0)    6  0.185418D+01          0.268152          0.617443
 Vib (V=0)    7  0.155245D+01          0.191016          0.439832
 Vib (V=0)    8  0.155019D+01          0.190384          0.438376
 Vib (V=0)    9  0.153419D+01          0.185880          0.428004
 Vib (V=0)   10  0.143273D+01          0.156164          0.359580
 Vib (V=0)   11  0.131953D+01          0.120421          0.277279
 Vib (V=0)   12  0.129785D+01          0.113225          0.260710
 Vib (V=0)   13  0.129721D+01          0.113011          0.260218
 Vib (V=0)   14  0.126294D+01          0.101383          0.233443
 Vib (V=0)   15  0.125217D+01          0.097663          0.224878
 Vib (V=0)   16  0.117078D+01          0.068474          0.157668
 Vib (V=0)   17  0.116681D+01          0.067000          0.154272
 Vib (V=0)   18  0.116484D+01          0.066268          0.152588
 Vib (V=0)   19  0.112137D+01          0.049748          0.114548
 Vib (V=0)   20  0.111919D+01          0.048902          0.112602
 Vib (V=0)   21  0.109752D+01          0.040413          0.093053
 Vib (V=0)   22  0.108103D+01          0.033838          0.077914
 Vib (V=0)   23  0.107826D+01          0.032723          0.075348
 Vib (V=0)   24  0.107396D+01          0.030990          0.071356
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181644D+07          6.259220         14.412388
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000005100   -0.000011887    0.000022263
      2        6           0.000024674   -0.000007295    0.000004029
      3        7          -0.000010636    0.000026720   -0.000042364
      4       45           0.000017130   -0.000084262   -0.000003418
      5        7          -0.000047401    0.000037833    0.000044979
      6        6           0.000006334   -0.000012716   -0.000025163
      7        6           0.000011055   -0.000018920    0.000010921
      8        7           0.000018590   -0.000022431   -0.000027330
      9        7          -0.000056269    0.000014816   -0.000004606
     10        7           0.000012714    0.000017478   -0.000043286
     11        6          -0.000007160    0.000033001    0.000052067
     12        6           0.000029748    0.000022177    0.000032591
     13        7           0.000022636   -0.000005004   -0.000024737
     14        1           0.000003460    0.000013517   -0.000027886
     15        1           0.000004111   -0.000004407    0.000002160
     16        1           0.000000319    0.000024622    0.000018310
     17        1           0.000003082   -0.000001730    0.000000535
     18        1          -0.000009274   -0.000014517   -0.000003400
     19        1          -0.000005202   -0.000001750    0.000001227
     20        1           0.000001694   -0.000015081    0.000022917
     21        1          -0.000005252   -0.000003557    0.000001696
     22        1           0.000008274   -0.000051368    0.000031366
     23        1          -0.000008175   -0.000011945    0.000016758
     24        1          -0.000013145    0.000002613   -0.000005732
     25        1           0.000009650    0.000013497   -0.000007122
     26        1          -0.000014991    0.000011089   -0.000003619
     27        1           0.000005990   -0.000001379    0.000007005
     28        1          -0.000019051   -0.000002055    0.000013357
     29        1           0.000018269   -0.000002927    0.000017093
     30        1           0.000010214    0.000025603   -0.000037802
     31        1          -0.000017459    0.000005819    0.000003228
     32        1          -0.000011035   -0.000007365   -0.000005448
     33        1           0.000001596    0.000005984   -0.000003788
     34        1          -0.000003859    0.000004921   -0.000004174
     35        1          -0.000001167    0.000009343   -0.000000539
     36        1           0.000012377   -0.000003162   -0.000011403
     37        1           0.000003060    0.000014724   -0.000020685
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000084262 RMS     0.000020496
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158479D+03 -0.928005D-03 -0.172042D-02
      2  -0.928005D-03  0.156950D+03  0.629253D-01
      3  -0.172042D-02  0.629253D-01  0.124232D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.813218D+00 -0.423339D-01  0.335774D-02
      2  -0.222382D-01  0.390524D+01 -0.221902D+01
      3  -0.164569D-01 -0.202796D+01 -0.458357D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.913913D+02 -0.537418D+00  0.174912D-01
      2   0.981009D+02  0.569657D+00  0.134872D-01
      3  -0.670968D+01 -0.322383D-01 -0.309783D-01
      4  -0.556832D+00  0.100999D+03 -0.514335D+01
      5  -0.652041D-01  0.165716D+01 -0.982495D+01
      6  -0.104146D+02 -0.752897D-01 -0.559613D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.474217D+01 -0.418373D+01  0.355369D+01 -0.607690D+01  0.136927D+01
      2  -0.418373D+01  0.791758D+00 -0.531373D+00  0.136927D+01  0.294583D+01
      3   0.355369D+01 -0.531373D+00  0.860174D+00 -0.133378D+01  0.299549D+01
                 6             7             8             9            10 
      1  -0.133378D+01  0.241147D+01 -0.776000D+00  0.110745D+01  0.468660D+01
      2   0.299549D+01 -0.776000D+00  0.229096D+01  0.799207D+00  0.419047D+01
      3   0.616938D+00  0.110745D+01  0.799207D+00 -0.571831D+00 -0.354153D+01
                11            12            13            14            15 
      1   0.419047D+01 -0.354153D+01  0.609417D+01  0.143674D+01 -0.132583D+01
      2   0.847951D+00 -0.521983D+00  0.143674D+01 -0.292992D+01 -0.300078D+01
      3  -0.521983D+00  0.846291D+00 -0.132583D+01 -0.300078D+01 -0.613127D+00
                16            17            18            19            20 
      1  -0.239807D+01 -0.762238D+00  0.109945D+01 -0.904526D+01 -0.476062D+01
      2  -0.762238D+00 -0.229370D+01 -0.794641D+00 -0.476062D+01 -0.139893D+01
      3   0.109945D+01 -0.794641D+00  0.573673D+00  0.514481D+01  0.141932D+01
                21            22            23            24            25 
      1   0.514481D+01 -0.174535D+01 -0.590494D+00  0.236373D+00  0.333598D+01
      2   0.141932D+01 -0.590494D+00  0.187584D+01  0.133924D+01  0.124041D+01
      3  -0.213944D+01  0.236373D+00  0.133924D+01 -0.723065D+00 -0.200523D+01
                26            27            28            29            30 
      1   0.124041D+01 -0.200523D+01  0.177099D+01  0.118270D-01  0.371986D-02
      2   0.182869D+01 -0.958231D+00  0.118270D-01 -0.207239D+01 -0.162171D+01
      3  -0.958231D+00 -0.192730D+01  0.371986D-02 -0.162171D+01  0.240272D+00
                31            32            33            34            35 
      1   0.157837D-01 -0.204139D+01  0.193599D+01  0.863246D-02 -0.787001D-01
      2  -0.204139D+01 -0.717565D-02  0.172585D-02 -0.787001D-01  0.154496D-01
      3   0.193599D+01  0.172585D-02  0.383026D-02  0.145662D+00  0.394436D-02
                36            37            38            39            40 
      1   0.145662D+00  0.502190D+01  0.413327D+01 -0.187677D+01  0.617249D+01
      2   0.394436D-02  0.413327D+01  0.142356D+01 -0.316835D+01  0.342281D+01
      3   0.283302D-02 -0.187677D+01 -0.316835D+01  0.187411D+01 -0.384322D+01
                41            42            43            44            45 
      1   0.342281D+01 -0.384322D+01 -0.156395D+01 -0.207027D+01  0.243870D+01
      2   0.320416D+01 -0.260435D+01 -0.207027D+01 -0.140930D+01 -0.105996D+00
      3  -0.260435D+01  0.543986D+00  0.243870D+01 -0.105996D+00  0.859719D+00
                46            47            48            49            50 
      1  -0.302918D+01 -0.114361D+01 -0.300452D+00 -0.237004D+01 -0.254318D+01
      2  -0.114361D+01 -0.884076D+00  0.337588D+01 -0.254318D+01 -0.156673D+01
      3  -0.300452D+00  0.337588D+01 -0.192324D+01  0.341859D+01  0.275635D+01
                51            52            53            54            55 
      1   0.341859D+01  0.178808D+00  0.465165D+01 -0.293896D+01  0.648990D+00
      2   0.275635D+01  0.465165D+01  0.334824D+01 -0.863418D+00 -0.100412D+01
      3  -0.212822D+00 -0.293896D+01 -0.863418D+00  0.337524D+00  0.105242D+01
                56            57            58            59            60 
      1  -0.100412D+01  0.105242D+01 -0.220910D+00 -0.370959D+00 -0.294417D+01
      2  -0.223507D+01 -0.295838D+01 -0.370959D+00 -0.555213D+01 -0.343505D+01
      3  -0.295838D+01  0.914869D+00 -0.294417D+01 -0.343505D+01 -0.150249D+01
                61            62            63            64            65 
      1   0.160829D+01 -0.360449D+01  0.853533D+00  0.149690D+01  0.174720D+00
      2  -0.360449D+01 -0.505332D+01 -0.268547D+01  0.174720D+00  0.356408D+01
      3   0.853533D+00 -0.268547D+01 -0.196677D+00 -0.786563D+00  0.230387D+01
                66            67            68            69            70 
      1  -0.786563D+00 -0.478777D+00  0.860035D+00  0.167057D+01 -0.485609D+00
      2   0.230387D+01  0.860035D+00  0.112430D+02  0.488139D+01  0.103253D+01
      3  -0.557564D+00  0.167057D+01  0.488139D+01  0.161273D+01 -0.131980D+01
                71            72            73            74            75 
      1   0.103253D+01 -0.131980D+01 -0.906672D+01  0.473487D+01 -0.514520D+01
      2   0.322810D+01  0.189491D+01  0.473487D+01 -0.135399D+01  0.141194D+01
      3   0.189491D+01 -0.893174D+00 -0.514520D+01  0.141194D+01 -0.215280D+01
                76            77            78            79            80 
      1   0.171110D+01 -0.554849D+00  0.222855D+00 -0.334219D+01  0.124222D+01
      2  -0.554849D+00 -0.188377D+01 -0.134008D+01  0.124222D+01 -0.183067D+01
      3   0.222855D+00 -0.134008D+01  0.703474D+00 -0.201788D+01  0.941909D+00
                81            82            83            84            85 
      1  -0.201788D+01  0.506079D+01 -0.412585D+01  0.188991D+01 -0.617242D+01
      2   0.941909D+00 -0.412585D+01  0.141520D+01 -0.318205D+01  0.340503D+01
      3   0.192844D+01  0.188991D+01 -0.318205D+01  0.186788D+01 -0.385773D+01
                86            87            88            89            90 
      1   0.340503D+01 -0.385773D+01  0.156262D+01 -0.207501D+01  0.243039D+01
      2  -0.318872D+01  0.257603D+01 -0.207501D+01  0.138844D+01  0.114336D+00
      3   0.257603D+01 -0.538688D+00  0.243039D+01  0.114336D+00 -0.849473D+00
                91            92            93            94            95 
      1  -0.304769D+01  0.113850D+01  0.272869D+00  0.237361D+01 -0.254748D+01
      2   0.113850D+01 -0.897611D+00  0.339632D+01 -0.254748D+01  0.156030D+01
      3   0.272869D+00  0.339632D+01 -0.191249D+01  0.343679D+01 -0.272938D+01
                96            97            98            99           100 
      1   0.343679D+01 -0.212134D+00  0.466825D+01 -0.292806D+01  0.638057D+00
      2  -0.272938D+01  0.466825D+01 -0.330956D+01  0.845356D+00  0.102417D+01
      3   0.199429D+00 -0.292806D+01  0.845356D+00 -0.343267D+00 -0.102214D+01
               101           102           103           104           105 
      1   0.102417D+01 -0.102214D+01  0.227692D+00 -0.370888D+00 -0.296436D+01
      2  -0.223996D+01 -0.298317D+01 -0.370888D+00  0.550493D+01  0.339989D+01
      3  -0.298317D+01  0.894210D+00 -0.296436D+01  0.339989D+01  0.151528D+01
               106           107           108           109           110 
      1  -0.157326D+01 -0.363551D+01  0.827015D+00  0.149910D+01 -0.185786D+00
      2  -0.363551D+01  0.502161D+01  0.270422D+01 -0.185786D+00  0.359916D+01
      3   0.827015D+00  0.270422D+01  0.208561D+00  0.765898D+00  0.232560D+01
               111           112           113           114           115 
      1   0.765898D+00  0.478522D+00  0.897537D+00  0.169057D+01  0.475342D+00
      2   0.232560D+01  0.897537D+00 -0.112064D+02 -0.486252D+01  0.104735D+01
      3  -0.545965D+00  0.169057D+01 -0.486252D+01 -0.162188D+01 -0.130704D+01
               116           117           118           119           120 
      1   0.104735D+01 -0.130704D+01  0.512598D+01  0.223146D+00  0.154415D+01
      2  -0.323673D+01 -0.191402D+01  0.223146D+00  0.129056D+01 -0.266024D+00
      3  -0.191402D+01  0.891407D+00  0.154415D+01 -0.266024D+00  0.144745D+01
               121           122           123           124           125 
      1  -0.795682D+00  0.877545D+00 -0.566031D+00  0.271687D+01 -0.481781D+00
      2   0.877545D+00 -0.871905D+00  0.373232D+00 -0.481781D+00  0.863344D+00
      3  -0.566031D+00  0.373232D+00 -0.435870D+00  0.204243D+01  0.611036D-02
               126           127           128           129           130 
      1   0.204243D+01  0.456520D+01  0.299910D+01 -0.160140D+01  0.309959D+01
      2   0.611036D-02  0.299910D+01  0.269686D+01 -0.147159D+01  0.334170D+01
      3   0.211643D+01 -0.160140D+01 -0.147159D+01  0.144333D+01 -0.156420D+01
               131           132           133           134           135 
      1   0.334170D+01 -0.156420D+01 -0.285740D+01 -0.297129D+01  0.257798D+01
      2   0.562024D+01 -0.208772D+01 -0.297129D+01 -0.325772D+01  0.251183D+01
      3  -0.208772D+01  0.161418D+01  0.257798D+01  0.251183D+01 -0.275881D+01
               136           137           138           139           140 
      1  -0.250487D+01  0.110436D+01 -0.107572D+01  0.925312D+00 -0.112785D+01
      2   0.110436D+01 -0.223838D+01  0.899840D+00 -0.112785D+01  0.361128D+01
      3  -0.107572D+01  0.899840D+00 -0.117071D+01  0.561820D+00 -0.891437D+00
               141           142           143           144           145 
      1   0.561820D+00 -0.177680D+01  0.104626D+01 -0.105570D+01  0.150181D+01
      2  -0.891437D+00  0.104626D+01 -0.176851D+01  0.177027D+01  0.206521D+01
      3   0.996515D+00 -0.105570D+01  0.177027D+01 -0.220602D+01  0.576634D+00
               146           147           148           149           150 
      1   0.206521D+01  0.576634D+00  0.156437D+01  0.204346D+01  0.874634D+00
      2   0.243715D+01  0.966171D+00  0.204346D+01  0.950033D+01  0.294130D+01
      3   0.966171D+00  0.619905D+00  0.874634D+00  0.294130D+01  0.196472D+01
               151           152           153           154           155 
      1   0.520725D+00  0.160835D+01  0.815903D+00 -0.248880D+01 -0.110737D+01
      2   0.160835D+01  0.545538D+01  0.332478D+01 -0.110737D+01 -0.223966D+01
      3   0.815903D+00  0.332478D+01  0.252112D+01  0.106560D+01  0.901096D+00
               156           157           158           159           160 
      1   0.106560D+01 -0.931393D+00 -0.112583D+01  0.562817D+00  0.176373D+01
      2   0.901096D+00 -0.112583D+01 -0.364452D+01  0.899432D+00  0.104770D+01
      3  -0.116275D+01  0.562817D+00  0.899432D+00 -0.100396D+01 -0.104389D+01
               161           162           163           164           165 
      1   0.104770D+01 -0.104389D+01  0.152762D+01 -0.207907D+01 -0.589109D+00
      2   0.178322D+01 -0.177578D+01 -0.207907D+01  0.246270D+01  0.981455D+00
      3  -0.177578D+01  0.219768D+01 -0.589109D+00  0.981455D+00  0.634164D+00
               166           167           168           169           170 
      1  -0.157360D+01  0.206170D+01  0.886386D+00 -0.538385D+00  0.163237D+01
      2   0.206170D+01 -0.943984D+01 -0.293564D+01  0.163237D+01 -0.544933D+01
      3   0.886386D+00 -0.293564D+01 -0.196680D+01  0.835023D+00 -0.333009D+01
               171           172           173           174           175 
      1   0.835023D+00  0.512454D+01 -0.205394D+00 -0.153768D+01  0.814585D+00
      2  -0.333009D+01 -0.205394D+00  0.128810D+01 -0.273695D+00  0.878651D+00
      3  -0.253609D+01 -0.153768D+01 -0.273695D+00  0.144315D+01 -0.572615D+00
               176           177           178           179           180 
      1   0.878651D+00 -0.572615D+00 -0.270539D+01 -0.493875D+00  0.203715D+01
      2   0.891397D+00 -0.376605D+00 -0.493875D+00 -0.867343D+00  0.538037D-02
      3  -0.376605D+00  0.443731D+00  0.203715D+01  0.538037D-02 -0.210965D+01
               181           182           183           184           185 
      1   0.460207D+01 -0.300752D+01  0.161154D+01 -0.311060D+01  0.334564D+01
      2  -0.300752D+01  0.270176D+01 -0.147451D+01  0.334564D+01 -0.559420D+01
      3   0.161154D+01 -0.147451D+01  0.144711D+01 -0.156648D+01  0.207535D+01
               186           187           188           189           190 
      1  -0.156648D+01  0.287464D+01 -0.297196D+01  0.258304D+01  0.468218D+01
      2   0.207535D+01 -0.297196D+01  0.323424D+01 -0.250056D+01  0.954436D+00
      3  -0.160763D+01  0.258304D+01 -0.250056D+01  0.275338D+01  0.193758D+01
               191           192           193           194           195 
      1   0.954436D+00  0.193758D+01  0.272083D+01  0.191720D+00  0.192206D+01
      2   0.189941D+01  0.781841D+00  0.191720D+00  0.213208D+01 -0.103312D-01
      3   0.781841D+00  0.160069D+01  0.192206D+01 -0.103312D-01  0.146540D+01
               196           197           198           199           200 
      1   0.106430D+01  0.102223D+01  0.102028D+01 -0.163341D+01  0.131856D+01
      2   0.102223D+01  0.171348D+00  0.604831D+00  0.131856D+01 -0.101790D+01
      3   0.102028D+01  0.604831D+00  0.182865D+01 -0.916326D-01  0.103410D+01
               201           202           203           204           205 
      1  -0.916326D-01 -0.627226D-01 -0.140886D-01  0.313823D+00  0.131399D+01
      2   0.103410D+01 -0.140886D-01 -0.126382D+01  0.960845D+00 -0.295621D+00
      3  -0.172977D+01  0.313823D+00  0.960845D+00 -0.141045D+01  0.190989D+00
               206           207           208           209           210 
      1  -0.295621D+00  0.190989D+00 -0.373013D+01 -0.111659D+01 -0.168623D+01
      2   0.144146D+01 -0.141241D+01 -0.111659D+01 -0.381524D+01 -0.203255D+01
      3  -0.141241D+01  0.600486D+01 -0.168623D+01 -0.203255D+01 -0.197873D+01
               211           212           213           214           215 
      1  -0.171227D+01 -0.134217D+01 -0.984345D+00 -0.131827D+01 -0.856477D+00
      2  -0.134217D+01 -0.150966D+01 -0.303106D+00 -0.856477D+00  0.252950D-01
      3  -0.984345D+00 -0.303106D+00 -0.749344D+00 -0.101111D+01 -0.660621D+00
               216           217           218           219           220 
      1  -0.101111D+01  0.901495D+00 -0.686566D+00 -0.131023D+01 -0.477061D+00
      2  -0.660621D+00 -0.686566D+00  0.164252D+01  0.482811D+00 -0.877813D-01
      3  -0.187305D+01 -0.131023D+01  0.482811D+00  0.209459D+01 -0.239981D+00
               221           222           223           224           225 
      1  -0.877813D-01 -0.239981D+00 -0.117586D+01  0.224054D+00  0.117007D+01
      2   0.207289D+01  0.339284D+00  0.224054D+00 -0.160553D+01 -0.909944D+00
      3   0.339284D+00  0.661153D+00  0.117007D+01 -0.909944D+00 -0.583539D+01
               226           227           228           229           230 
      1   0.434666D+00  0.447729D+00  0.806989D+00  0.274141D+01 -0.122699D+01
      2   0.447729D+00 -0.107463D+01 -0.133295D+00 -0.122699D+01  0.605404D+01
      3   0.806989D+00 -0.133295D+00  0.183446D+00  0.949022D+00 -0.978098D+00
               231           232           233           234           235 
      1   0.949022D+00  0.179189D+01 -0.415392D+00  0.538793D+00  0.821634D+00
      2  -0.978098D+00 -0.415392D+00  0.629756D-01  0.492308D+00 -0.731552D+00
      3   0.132550D+01  0.538793D+00  0.492308D+00 -0.271213D+00  0.866035D-02
               236           237           238           239           240 
      1  -0.731552D+00  0.866035D-02 -0.124236D+01  0.894679D-01 -0.428853D+00
      2  -0.867305D-01 -0.382932D+00  0.894679D-01  0.739403D+00 -0.583664D+00
      3  -0.382932D+00  0.720469D+00 -0.428853D+00 -0.583664D+00 -0.372319D+00
               241           242           243           244           245 
      1  -0.201745D+01  0.268672D+00 -0.998750D+00 -0.374076D+01  0.112394D+01
      2   0.268672D+00 -0.108240D+01  0.123187D+01  0.112394D+01 -0.381519D+01
      3  -0.998750D+00  0.123187D+01 -0.746105D+01  0.169897D+01 -0.202899D+01
               246           247           248           249           250 
      1   0.169897D+01  0.170847D+01 -0.133780D+01 -0.979973D+00  0.132394D+01
      2  -0.202899D+01 -0.133780D+01  0.148476D+01  0.292912D+00 -0.852026D+00
      3  -0.198355D+01 -0.979973D+00  0.292912D+00  0.744084D+00 -0.101472D+01
               251           252           253           254           255 
      1  -0.852026D+00 -0.101472D+01  0.899622D+00  0.686225D+00  0.131333D+01
      2  -0.280391D-01  0.661011D+00  0.686225D+00  0.165811D+01  0.491246D+00
      3   0.661011D+00  0.187730D+01  0.131333D+01  0.491246D+00  0.210316D+01
               256           257           258           259           260 
      1   0.481936D+00 -0.752427D-01 -0.233893D+00  0.117527D+01  0.224540D+00
      2  -0.752427D-01 -0.206551D+01 -0.337166D+00  0.224540D+00  0.161000D+01
      3  -0.233893D+00 -0.337166D+00 -0.647654D+00  0.117125D+01  0.920623D+00
               261           262           263           264           265 
      1   0.117125D+01  0.470682D+01 -0.951681D+00 -0.193924D+01 -0.271038D+01
      2   0.920623D+00 -0.951681D+00  0.190714D+01  0.772705D+00  0.192244D+00
      3   0.583564D+01 -0.193924D+01  0.772705D+00  0.159732D+01  0.191047D+01
               266           267           268           269           270 
      1   0.192244D+00  0.191047D+01 -0.105945D+01  0.101999D+01  0.101231D+01
      2  -0.212763D+01  0.233839D-01  0.101999D+01 -0.157679D+00 -0.600253D+00
      3   0.233839D-01 -0.145277D+01  0.101231D+01 -0.600253D+00 -0.181302D+01
               271           272           273           274           275 
      1  -0.162031D+01 -0.132191D+01  0.886313D-01  0.527817D-01 -0.210537D-01
      2  -0.132191D+01 -0.102476D+01  0.103195D+01 -0.210537D-01  0.125255D+01
      3   0.886313D-01  0.103195D+01 -0.172782D+01  0.314392D+00 -0.951184D+00
               276           277           278           279           280 
      1   0.314392D+00 -0.131664D+01 -0.300792D+00  0.195853D+00 -0.107956D+01
      2  -0.951184D+00 -0.300792D+00 -0.144388D+01  0.140695D+01 -0.730315D+00
      3   0.139559D+01  0.195853D+00  0.140695D+01 -0.601822D+01 -0.105469D+01
               281           282           283           284           285 
      1  -0.730315D+00 -0.105469D+01 -0.156591D+01 -0.132014D+01 -0.584990D+00
      2  -0.389285D+00 -0.180929D+00 -0.132014D+01 -0.422055D+01 -0.212386D+01
      3  -0.180929D+00 -0.449970D+00 -0.584990D+00 -0.212386D+01 -0.228625D+01
               286           287           288           289           290 
      1  -0.166461D+01 -0.432011D+00 -0.965613D+00 -0.983458D+01  0.246378D+01
      2  -0.432011D+00 -0.157410D+01 -0.148599D+01  0.246378D+01 -0.164327D+01
      3  -0.965613D+00 -0.148599D+01 -0.220810D+01 -0.271023D+01  0.671213D+00
               291           292           293           294           295 
      1  -0.271023D+01  0.488963D+01 -0.261514D+01  0.158206D+01 -0.299907D+01
      2   0.671213D+00 -0.261514D+01  0.138170D+01 -0.128411D+01  0.837423D+00
      3  -0.192432D+01  0.158206D+01 -0.128411D+01  0.939466D+00 -0.253050D+01
               296           297           298           299           300 
      1   0.837423D+00 -0.253050D+01 -0.979998D+01 -0.248879D+01  0.269104D+01
      2  -0.763487D+00  0.643293D+00 -0.248879D+01 -0.166030D+01  0.673664D+00
      3   0.643293D+00 -0.156452D+01  0.269104D+01  0.673664D+00 -0.191265D+01
               301           302           303           304           305 
      1  -0.492026D+01 -0.264330D+01  0.158381D+01  0.297837D+01  0.841472D+00
      2  -0.264330D+01 -0.141223D+01  0.128961D+01  0.841472D+00  0.767072D+00
      3   0.158381D+01  0.128961D+01 -0.944607D+00 -0.251874D+01 -0.651395D+00
               306           307           308           309           310 
      1  -0.251874D+01 -0.110207D+01  0.735395D+00  0.105870D+01  0.157741D+01
      2  -0.651395D+00  0.735395D+00 -0.407078D+00 -0.188561D+00 -0.133778D+01
      3   0.155287D+01  0.105870D+01 -0.188561D+00 -0.461073D+00 -0.594558D+00
               311           312           313           314           315 
      1  -0.133778D+01 -0.594558D+00  0.166935D+01 -0.435948D+00 -0.973139D+00
      2   0.420934D+01  0.211916D+01 -0.435948D+00  0.156955D+01  0.148125D+01
      3   0.211916D+01  0.228382D+01 -0.973139D+00  0.148125D+01  0.220495D+01
               316           317           318           319           320 
      1   0.809764D+00  0.736132D+00 -0.599749D-02  0.125196D+01  0.994807D-01
      2   0.736132D+00 -0.802925D-01 -0.382129D+00  0.994807D-01 -0.733668D+00
      3  -0.599749D-02 -0.382129D+00  0.711956D+00 -0.433447D+00  0.579016D+00
               321           322           323           324           325 
      1  -0.433447D+00  0.201550D+01  0.272885D+00 -0.100127D+01  0.454422D+00
      2   0.579016D+00  0.272885D+00  0.108128D+01 -0.122380D+01 -0.435387D+00
      3   0.388466D+00 -0.100127D+01 -0.122380D+01  0.746374D+01 -0.810329D+00
               326           327           328           329           330 
      1  -0.435387D+00 -0.810329D+00 -0.273503D+01 -0.121860D+01  0.945422D+00
      2  -0.105129D+01 -0.138808D+00 -0.121860D+01 -0.606567D+01  0.991448D+00
      3  -0.138808D+00  0.188312D+00  0.945422D+00  0.991448D+00 -0.132855D+01
               331           332           333 
      1  -0.178519D+01 -0.418964D+00  0.537129D+00
      2  -0.418964D+00 -0.553567D-01 -0.491762D+00
      3   0.537129D+00 -0.491762D+00  0.278066D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.251540D+01 -0.271816D+00  0.232379D-01  0.498519D+00 -0.221461D+01
      2  -0.316130D+01 -0.708798D+01  0.775520D+01 -0.807070D+01 -0.864701D+01
      3  -0.868040D+01 -0.219878D+01  0.317663D+01  0.143843D+01  0.107501D+02
                 6             7             8             9            10 
      1  -0.443831D+01  0.766688D+00 -0.712748D+00 -0.479512D+00  0.252221D+01
      2  -0.641562D+01  0.259537D+01 -0.366166D+00  0.391148D+00  0.321495D+01
      3   0.931921D+01  0.371938D+01  0.989948D+01  0.348409D+01  0.871152D+01
                11            12            13            14            15 
      1   0.339739D+00 -0.415985D-01 -0.429113D+00 -0.222796D+01 -0.445120D+01
      2  -0.712413D+01  0.775205D+01 -0.813284D+01  0.856402D+01  0.641577D+01
      3  -0.205229D+01  0.323155D+01  0.158761D+01 -0.107349D+02 -0.930592D+01
                16            17            18            19            20 
      1  -0.774537D+00 -0.705489D+00 -0.469186D+00  0.390735D-01  0.697709D+01
      2   0.256572D+01  0.353017D+00 -0.373988D+00 -0.159187D+02  0.574683D+00
      3   0.377604D+01 -0.989556D+01 -0.346872D+01 -0.908895D+01  0.464462D+01
                21            22            23            24            25 
      1   0.106840D+01  0.165849D+02  0.150002D+02 -0.931899D+01  0.924383D+01
      2  -0.331270D+01 -0.129695D+01 -0.274200D+01 -0.604897D+00 -0.223190D+02
      3  -0.206966D+00  0.235174D+02  0.164551D+02 -0.850382D+01  0.212637D+01
                26            27            28            29            30 
      1   0.609878D+01 -0.126993D+02 -0.252854D+01 -0.739211D-02  0.117761D-01
      2  -0.801361D+01  0.211357D+02 -0.157011D-01  0.214357D+01  0.103193D+01
      3  -0.262494D+01  0.633733D+00 -0.231851D-02 -0.152343D+01  0.142692D+01
                31            32            33            34            35 
      1  -0.254059D-01  0.633576D+00 -0.587815D+00 -0.195303D-03 -0.143565D+01
      2   0.372614D-01 -0.130131D-02 -0.826893D-02  0.236004D+01  0.114838D-01
      3  -0.470133D+00  0.150419D-01  0.263212D-01  0.660105D+00  0.885410D-02
                36            37            38            39            40 
      1   0.195934D+00 -0.788161D+01  0.766613D+01  0.767179D+01  0.994205D+01
      2  -0.126208D-01 -0.177582D+02 -0.789083D+01  0.752178D+01  0.141233D+01
      3  -0.112226D-02 -0.226288D+02 -0.308511D+01  0.123726D+02  0.153288D+02
                41            42            43            44            45 
      1   0.947421D+01 -0.262034D+01  0.113778D+02  0.837603D+01 -0.718504D+01
      2  -0.624863D+00 -0.977722D+01 -0.158323D+02 -0.163641D+02  0.171688D+02
      3   0.140433D+02 -0.616901D+01  0.562952D+01 -0.501745D+01  0.279619D+01
                46            47            48            49            50 
      1   0.634875D+01 -0.418003D+01  0.319571D+01 -0.322383D+01 -0.740977D+01
      2  -0.413438D+01  0.540136D+01 -0.252444D+01  0.380987D+01  0.536440D+01
      3  -0.438690D+01  0.107188D+01 -0.917274D+01  0.748706D+01 -0.242776D+01
                51            52            53            54            55 
      1  -0.709738D+01  0.167570D+01 -0.347806D+01  0.122887D+01 -0.851999D+00
      2   0.348584D+01 -0.449696D+01  0.428158D+01 -0.119187D+01 -0.885142D+00
      3  -0.344883D+01 -0.136255D+02 -0.149452D+01 -0.590792D+01  0.680883D+01
                56            57            58            59            60 
      1   0.839110D+01 -0.766777D+01  0.999506D+01  0.217494D+01 -0.532464D+00
      2  -0.357819D+01  0.468364D+01 -0.330207D+01  0.824153D+00  0.817956D+00
      3  -0.589420D+01  0.185216D+01  0.159227D+00 -0.447037D+00 -0.940679D+01
                61            62            63            64            65 
      1  -0.709462D+01  0.719115D+00 -0.133814D+01  0.562014D+00  0.211265D+01
      2   0.408439D+00  0.106510D+01  0.451549D+00 -0.299937D+01  0.159459D+02
      3   0.587850D+01 -0.122985D+02  0.632349D+01  0.361789D+00 -0.287946D+02
                66            67            68            69            70 
      1   0.726169D+01 -0.365693D+01 -0.157741D+02  0.273077D+01  0.704431D+01
      2   0.110197D+02  0.904649D+01 -0.384623D+01 -0.488790D+01  0.126804D+01
      3  -0.117693D+02 -0.917201D+01  0.829548D+01  0.784815D+01 -0.677883D+01
                71            72            73            74            75 
      1   0.264921D+02  0.176095D+02  0.804024D-01 -0.704005D+01 -0.100201D+01
      2  -0.121490D+01  0.212468D+01  0.159890D+02  0.580393D+00 -0.324224D+01
      3   0.241886D+01 -0.270444D+01  0.901655D+01  0.471077D+01 -0.220259D+00
                76            77            78            79            80 
      1  -0.166204D+02  0.149125D+02 -0.929474D+01 -0.918887D+01  0.607398D+01
      2  -0.132483D+01  0.281012D+01  0.591098D+00 -0.222997D+02  0.799555D+01
      3   0.235318D+02 -0.163456D+02  0.847010D+01  0.213291D+01  0.262275D+01
                81            82            83            84            85 
      1  -0.126233D+02 -0.788420D+01 -0.768727D+01 -0.773003D+01 -0.100007D+02
      2  -0.211893D+02  0.176794D+02 -0.789702D+01  0.746756D+01  0.144672D+01
      3  -0.669009D+00  0.225328D+02 -0.302187D+01  0.123877D+02  0.154400D+02
                86            87            88            89            90 
      1   0.941835D+01 -0.267411D+01 -0.113697D+02  0.827442D+01 -0.713437D+01
      2   0.592664D+00  0.983812D+01 -0.158921D+02  0.163485D+02 -0.171411D+02
      3  -0.140185D+02  0.623842D+01  0.561776D+01  0.506040D+01 -0.279595D+01
                91            92            93            94            95 
      1   0.630438D+01  0.422244D+01 -0.312482D+01  0.326826D+01 -0.732644D+01
      2   0.413195D+01  0.546066D+01 -0.248976D+01  0.384467D+01 -0.531620D+01
      3   0.437215D+01  0.113812D+01 -0.919453D+01  0.750551D+01  0.246163D+01
                96            97            98            99           100 
      1  -0.711918D+01 -0.161152D+01 -0.350389D+01  0.120494D+01 -0.762400D+00
      2  -0.354902D+01 -0.445229D+01 -0.434790D+01  0.118288D+01  0.919106D+00
      3   0.337775D+01 -0.136144D+02  0.139670D+01  0.590784D+01 -0.676092D+01
               101           102           103           104           105 
      1  -0.843554D+01  0.760348D+01 -0.100351D+02  0.215645D+01 -0.450853D+00
      2  -0.360788D+01  0.470397D+01 -0.334215D+01 -0.839957D+00 -0.800805D+00
      3  -0.597423D+01  0.180089D+01  0.115874D+00  0.366294D+00  0.943895D+01
               106           107           108           109           110 
      1   0.703381D+01  0.796674D+00 -0.129940D+01  0.534717D+00 -0.211406D+01
      2   0.421528D+00 -0.106095D+01 -0.448416D+00  0.291854D+01  0.159277D+02
      3   0.580476D+01  0.123592D+02 -0.627127D+01 -0.235224D+00 -0.287486D+02
               111           112           113           114           115 
      1  -0.730711D+01  0.369624D+01 -0.158154D+02  0.264541D+01 -0.712669D+01
      2   0.109658D+02  0.906040D+01  0.388638D+01  0.494220D+01  0.123044D+01
      3  -0.117272D+02 -0.913633D+01 -0.842394D+01 -0.789217D+01 -0.675169D+01
               116           117           118           119           120 
      1   0.264609D+02  0.176329D+02 -0.449079D+01  0.106066D+01 -0.316425D+01
      2   0.130338D+01 -0.207102D+01  0.534182D+01 -0.109118D+01  0.550805D+01
      3  -0.244354D+01  0.269101D+01  0.121495D+02 -0.453183D+01  0.502241D+01
               121           122           123           124           125 
      1   0.157767D+01 -0.113176D+01  0.773589D+00 -0.449599D+01  0.233311D+01
      2  -0.196257D+01  0.145173D+01 -0.225743D+01  0.462046D+01 -0.676951D+00
      3  -0.390498D+01  0.715011D+01 -0.299819D+01  0.852145D+01 -0.500417D+01
               126           127           128           129           130 
      1  -0.611021D+01  0.149297D+01  0.939236D+00 -0.358491D+01  0.194037D+01
      2   0.718796D+01 -0.723715D+00 -0.116443D+01  0.357521D+01 -0.177575D+01
      3   0.517303D+01  0.460586D+01 -0.433289D+00 -0.872115D+00  0.860022D+00
               131           132           133           134           135 
      1   0.948741D+00 -0.411094D+01 -0.170389D+01  0.381452D+00  0.528840D+01
      2  -0.229785D+01  0.354974D+01  0.953271D+00  0.186964D+01 -0.483242D+01
      3  -0.562181D+01  0.764360D+00  0.125965D+01  0.396731D+01  0.155819D+00
               136           137           138           139           140 
      1   0.478839D+01 -0.351705D+01  0.526275D+01 -0.245532D+01  0.361517D+01
      2  -0.100255D+01  0.666715D+00  0.349175D+00  0.582535D+00 -0.737077D+00
      3  -0.123964D+02  0.368512D+01 -0.523610D+01  0.433904D+01 -0.699873D+01
               141           142           143           144           145 
      1  -0.397549D+01  0.455636D+01 -0.435833D+01  0.923892D+01 -0.400831D+00
      2   0.178069D+00 -0.231583D+01  0.525174D+00 -0.164940D+01 -0.392287D+00
      3   0.277820D+01 -0.858764D+01  0.483418D+01 -0.519970D+01  0.318727D+01
               146           147           148           149           150 
      1  -0.207293D+01 -0.193836D+01 -0.844839D+00 -0.358477D+01 -0.686268D+01
      2   0.811629D-01  0.907018D+00 -0.514627D+00  0.107689D+01  0.200915D+01
      3   0.371968D+01  0.949855D+00  0.512176D+01 -0.212169D+01 -0.398263D+00
               151           152           153           154           155 
      1  -0.413231D+00 -0.216361D+01 -0.665799D+01  0.474321D+01  0.353582D+01
      2  -0.145355D+01  0.319434D+00  0.206698D+01  0.100135D+01  0.679146D+00
      3   0.262089D+01  0.308869D+01 -0.272514D+00  0.123496D+02  0.374265D+01
               156           157           158           159           160 
      1  -0.523726D+01  0.246866D+01  0.364495D+01 -0.401549D+01 -0.451134D+01
      2   0.337417D+00  0.594410D+00  0.746774D+00 -0.192604D+00 -0.231521D+01
      3  -0.520512D+01  0.438840D+01  0.705856D+01 -0.279950D+01 -0.855269D+01
               161           162           163           164           165 
      1  -0.439404D+01  0.921119D+01 -0.422638D+00  0.208757D+01  0.197751D+01
      2  -0.553767D+00  0.167450D+01  0.395848D+00  0.921819D-01  0.926444D+00
      3  -0.487675D+01  0.518186D+01 -0.323540D+01  0.370447D+01  0.958168D+00
               166           167           168           169           170 
      1   0.873320D+00 -0.358992D+01 -0.685078D+01  0.443971D+00 -0.217847D+01
      2  -0.504271D+00 -0.109724D+01 -0.203333D+01 -0.145327D+01 -0.330705D+00
      3   0.509138D+01  0.214618D+01  0.393741D+00  0.264632D+01 -0.309109D+01
               171           172           173           174           175 
      1  -0.669068D+01 -0.445569D+01 -0.107300D+01  0.313191D+01 -0.158557D+01
      2  -0.210471D+01 -0.534188D+01 -0.112087D+01  0.550216D+01 -0.198825D+01
      3   0.256296D+00 -0.121346D+02 -0.458190D+01  0.501478D+01 -0.394779D+01
               176           177           178           179           180 
      1  -0.114641D+01  0.786638D+00  0.445424D+01  0.236594D+01 -0.606802D+01
      2  -0.147891D+01  0.229362D+01  0.462161D+01  0.719202D+00 -0.719165D+01
      3  -0.722306D+01  0.302725D+01  0.849681D+01  0.505391D+01 -0.517460D+01
               181           182           183           184           185 
      1   0.149505D+01 -0.931862D+00  0.358318D+01 -0.192821D+01  0.921677D+00
      2   0.733686D+00 -0.117061D+01  0.359800D+01 -0.178343D+01  0.227998D+01
      3  -0.461556D+01 -0.474837D+00 -0.866072D+00  0.820229D+00  0.562235D+01
               186           187           188           189           190 
      1  -0.408559D+01  0.169056D+01  0.395838D+00  0.526056D+01  0.476419D+01
      2  -0.354971D+01  0.952879D+00 -0.184998D+01  0.483851D+01 -0.331388D+01
      3  -0.762237D+00  0.126642D+01 -0.394308D+01 -0.158068D+00 -0.752411D+01
               191           192           193           194           195 
      1   0.423914D+01  0.332609D+01  0.442235D+01  0.582818D+01  0.208723D+01
      2  -0.109107D+01  0.668668D+00 -0.472092D+01  0.508607D+00 -0.422559D+00
      3  -0.610862D+01 -0.372836D+01 -0.656055D+01 -0.684366D+01 -0.369590D+01
               196           197           198           199           200 
      1   0.222499D+01  0.231981D+01  0.275981D+01  0.154355D+01 -0.182727D+01
      2   0.520686D+00  0.638644D+00  0.119445D+01 -0.330728D+00  0.244461D+01
      3  -0.211936D+01 -0.830026D+00 -0.307910D+01 -0.197540D+01  0.244963D+01
               201           202           203           204           205 
      1  -0.696607D+00  0.430437D+00 -0.459732D+00 -0.776628D+00 -0.226072D-01
      2  -0.578666D+01  0.149481D+01  0.181485D+01 -0.297920D+01 -0.168413D+01
      3  -0.277453D+01  0.139095D+01  0.134474D+01 -0.191641D+01 -0.151239D+00
               206           207           208           209           210 
      1   0.153400D+01  0.422809D+01 -0.313910D+01  0.321299D+01 -0.202484D+01
      2  -0.304198D+01  0.121398D+02 -0.863156D+01 -0.374132D+01 -0.336126D+01
      3  -0.247597D+01  0.254769D+01  0.126229D+02  0.352108D+01  0.585933D+01
               211           212           213           214           215 
      1   0.176980D+00 -0.818541D+00 -0.165134D+01 -0.245384D+01 -0.463703D+00
      2  -0.193841D+01 -0.112993D+01 -0.118310D+01 -0.263819D+01 -0.532931D+00
      3   0.307320D+01  0.207158D+01  0.143681D+01  0.232297D+01  0.145219D+01
               216           217           218           219           220 
      1  -0.241698D+01 -0.241058D+01 -0.386023D+00  0.529551D+01 -0.351513D+00
      2  -0.188706D+01  0.193151D+01 -0.155471D+01 -0.164078D+01  0.731507D+00
      3   0.313464D+01 -0.238776D+01  0.105232D+01  0.311818D+01 -0.456009D-01
               221           222           223           224           225 
      1   0.612786D+00  0.285207D+01  0.237468D+01  0.734514D-01 -0.123242D+02
      2  -0.200891D+01 -0.134150D+01 -0.273914D+01  0.727369D+00  0.200265D+01
      3   0.290918D+01  0.138479D+01  0.235262D+01 -0.115114D+01 -0.264874D+01
               226           227           228           229           230 
      1   0.378795D+00 -0.872176D+00  0.739562D+00  0.223782D+01 -0.105977D+02
      2   0.139222D+01  0.715913D+00  0.150539D+01  0.300707D+01  0.589457D+00
      3   0.738575D+00  0.372535D+00 -0.455120D+00  0.120870D+01  0.128445D+02
               231           232           233           234           235 
      1  -0.211874D-02  0.217803D+01 -0.222831D+01  0.866697D-01 -0.148807D+01
      2  -0.986730D+00  0.187391D+01 -0.186736D+01  0.894016D+00  0.161526D+01
      3  -0.153372D+01  0.365744D+00  0.204095D+01  0.562803D+00  0.175591D+01
               236           237           238           239           240 
      1   0.648594D+00 -0.184235D+01  0.774800D+00  0.128137D+00  0.166831D+01
      2   0.117078D+01 -0.259332D+01 -0.360866D+00  0.158687D+01  0.798156D+00
      3  -0.701854D+00 -0.422262D+00 -0.285084D-02  0.576877D+00 -0.169711D+01
               241           242           243           244           245 
      1   0.162924D+01  0.679545D+00  0.732202D+01 -0.315173D+01 -0.319595D+01
      2  -0.168236D+01 -0.283129D+01  0.146522D+02  0.862685D+01 -0.373413D+01
      3  -0.249135D+01 -0.147718D+01  0.147429D+01 -0.126319D+02  0.348958D+01
               246           247           248           249           250 
      1   0.205316D+01 -0.175707D+00 -0.836143D+00 -0.165010D+01  0.246749D+01
      2  -0.335688D+01 -0.191301D+01  0.110507D+01  0.116700D+01 -0.263029D+01
      3   0.586621D+01  0.303507D+01 -0.205592D+01 -0.142026D+01  0.233023D+01
               251           252           253           254           255 
      1  -0.456939D+00 -0.242797D+01 -0.241362D+01  0.379413D+00 -0.531487D+01
      2   0.530726D+00  0.188205D+01 -0.194676D+01 -0.157040D+01 -0.166478D+01
      3  -0.145671D+01 -0.314436D+01  0.239659D+01  0.107573D+01  0.313280D+01
               256           257           258           259           260 
      1   0.337305D+00  0.591832D+00  0.281188D+01 -0.237645D+01  0.528120D-01
      2   0.716003D+00  0.200778D+01  0.134244D+01 -0.274849D+01 -0.741216D+00
      3  -0.294818D-01 -0.289963D+01 -0.137308D+01  0.235550D+01  0.116318D+01
               261           262           263           264           265 
      1  -0.123139D+02  0.478327D+01 -0.424477D+01 -0.331298D+01 -0.440435D+01
      2  -0.204927D+01  0.336229D+01 -0.110844D+01  0.660500D+00 -0.474071D+01
      3   0.266193D+01  0.758832D+01 -0.613972D+01 -0.372383D+01 -0.657697D+01
               266           267           268           269           270 
      1   0.581546D+01  0.205092D+01 -0.221292D+01  0.229716D+01  0.273397D+01
      2  -0.484596D+00  0.429539D+00  0.531767D+00 -0.628290D+00 -0.118034D+01
      3   0.684440D+01  0.365969D+01 -0.209894D+01  0.803378D+00  0.305830D+01
               271           272           273           274           275 
      1   0.152405D+01  0.181491D+01  0.718885D+00 -0.430685D+00 -0.443022D+00
      2   0.341990D+00  0.244945D+01 -0.578369D+01  0.149575D+01 -0.179165D+01
      3   0.197123D+01  0.244778D+01 -0.276381D+01  0.139568D+01 -0.131880D+01
               276           277           278           279           280 
      1  -0.778362D+00  0.211779D-01  0.153303D+01  0.428319D+01  0.747032D+00
      2   0.293448D+01 -0.167181D+01  0.303046D+01 -0.121633D+02  0.405123D+01
      3   0.189832D+01 -0.148923D+00  0.247624D+01 -0.253040D+01 -0.287598D+01
               281           282           283           284           285 
      1   0.555594D-01  0.130234D+00  0.135481D+01  0.537685D+01  0.650037D+00
      2  -0.560225D+00  0.374579D+00 -0.534626D+00  0.632200D+01  0.830843D+01
      3  -0.859365D+00 -0.502483D+00 -0.134295D+01 -0.163078D+02 -0.768812D+01
               286           287           288           289           290 
      1   0.141403D+00  0.308703D+01  0.118355D+01 -0.128751D+01  0.157059D+01
      2  -0.369765D+00  0.519227D+01  0.641485D+01 -0.134099D+01 -0.275235D+00
      3  -0.116234D+01 -0.589490D+01 -0.588636D+01  0.436289D+01 -0.646287D+01
               291           292           293           294           295 
      1  -0.678099D-01  0.167847D+01 -0.140605D+01 -0.958055D-01 -0.568479D-01
      2   0.585669D+01  0.439062D+01  0.116733D+01 -0.127399D+01  0.249587D+01
      3   0.204259D+01 -0.307486D+01  0.469470D+01 -0.341398D+01 -0.231135D+00
               296           297           298           299           300 
      1   0.133895D+01  0.605378D-01 -0.128414D+01 -0.156526D+01  0.423473D-01
      2  -0.156112D+01  0.280840D+01  0.132018D+01 -0.270061D+00  0.585033D+01
      3  -0.314396D+01  0.100946D+01 -0.435388D+01 -0.647672D+01  0.202819D+01
               301           302           303           304           305 
      1  -0.170153D+01 -0.141419D+01 -0.106305D+00  0.480701D-01  0.132713D+01
      2   0.441135D+01 -0.115051D+01  0.130151D+01  0.249346D+01  0.157540D+01
      3  -0.309590D+01 -0.475352D+01  0.341869D+01 -0.236663D+00  0.313689D+01
               306           307           308           309           310 
      1   0.685650D-01  0.760855D+00 -0.834910D-01 -0.135521D+00 -0.137889D+01
      2  -0.278459D+01 -0.404016D+01 -0.536871D+00  0.420360D+00 -0.508727D+00
      3  -0.101272D+01  0.287418D+01 -0.944340D+00 -0.544070D+00 -0.143791D+01
               311           312           313           314           315 
      1   0.537656D+01  0.666289D+00 -0.156818D+00  0.309740D+01  0.119704D+01
      2  -0.629267D+01 -0.830419D+01 -0.334554D+00 -0.517551D+01 -0.640890D+01
      3   0.163023D+02  0.768096D+01 -0.119521D+01  0.589187D+01  0.588175D+01
               316           317           318           319           320 
      1  -0.147555D+01 -0.659325D+00  0.183845D+01 -0.788767D+00  0.132773D+00
      2  -0.161371D+01  0.115618D+01 -0.256897D+01 -0.367652D+00 -0.157951D+01
      3  -0.176010D+01 -0.714765D+00 -0.414796D+00 -0.217297D-01 -0.571868D+00
               321           322           323           324           325 
      1   0.169506D+01 -0.163309D+01  0.669160D+00  0.738351D+01  0.400699D+00
      2  -0.831436D+00 -0.168303D+01  0.280466D+01 -0.146302D+02 -0.141696D+01
      3   0.169947D+01 -0.249953D+01  0.146031D+01 -0.144349D+01 -0.731267D+00
               326           327           328           329           330 
      1   0.911645D+00 -0.742560D+00 -0.222034D+01 -0.105954D+02  0.125327D-01
      2   0.713823D+00  0.150013D+01  0.300156D+01 -0.632659D+00  0.996409D+00
      3   0.420352D+00 -0.468009D+00  0.122725D+01 -0.128386D+02  0.156127D+01
               331           332           333 
      1  -0.216985D+01 -0.222160D+01  0.869124D-01
      2   0.185506D+01  0.186752D+01 -0.900060D+00
      3   0.361512D+00 -0.201591D+01 -0.565746D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.246409D+02  0.265830D+02 -0.227759D+02  0.325376D+02 -0.360549D+01
      2   0.159191D+02 -0.153769D+02  0.112855D+02 -0.188435D+02  0.357219D+01
      3   0.872180D+01 -0.112060D+02  0.114904D+02 -0.136941D+02  0.333025D-01
      4   0.237599D+02 -0.668819D+01  0.435581D+01 -0.896631D+01 -0.114350D+02
      5  -0.222474D+02  0.578613D+01 -0.791455D+01  0.102613D+02 -0.189866D+02
      6   0.767757D+01 -0.580672D+00 -0.756514D+00 -0.465131D+01 -0.498220D+01
                 6             7             8             9            10 
      1   0.782725D+01 -0.152791D+02  0.519737D+01 -0.440326D+01 -0.242631D+02
      2  -0.478885D+01  0.678609D+01 -0.333785D+01  0.306548D+00  0.155914D+02
      3  -0.303840D+01  0.849303D+01 -0.185952D+01  0.409671D+01  0.867174D+01
      4  -0.164083D+02  0.455882D+01 -0.135022D+02 -0.355412D+01 -0.238785D+02
      5  -0.573925D+01 -0.803999D+01 -0.364815D+01  0.370300D+01  0.220957D+02
      6  -0.623268D+01  0.796634D-01 -0.564680D+01 -0.158736D+01  0.770727D+01
                11            12            13            14            15 
      1  -0.266181D+02  0.227027D+02 -0.326173D+02 -0.405403D+01  0.770543D+01
      2   0.153548D+02 -0.112019D+02  0.188472D+02  0.383681D+01 -0.467901D+01
      3   0.112634D+02 -0.115008D+02  0.137701D+02  0.217222D+00 -0.302642D+01
      4  -0.705516D+01  0.435983D+01 -0.940928D+01  0.113525D+02  0.164822D+02
      5   0.571049D+01 -0.783255D+01  0.101710D+02  0.190804D+02  0.575648D+01
      6   0.660792D+00  0.781695D+00  0.475991D+01 -0.487787D+01 -0.618313D+01
                16            17            18            19            20 
      1   0.151878D+02  0.506393D+01 -0.433648D+01  0.177393D+02  0.137118D+02
      2  -0.669859D+01 -0.322152D+01  0.292907D+00 -0.181030D+02 -0.101190D+02
      3  -0.848925D+01 -0.184241D+01  0.404357D+01  0.363699D+00 -0.359279D+01
      4   0.452268D+01  0.135573D+02  0.355496D+01  0.519135D+01 -0.102790D+01
      5  -0.798392D+01  0.366200D+01 -0.372687D+01 -0.119331D+02 -0.327768D+01
      6  -0.548498D-01 -0.562594D+01 -0.158896D+01 -0.780182D+01  0.141213D+01
                21            22            23            24            25 
      1  -0.129712D+02  0.614900D+01  0.338440D+01  0.170351D+01 -0.574010D+01
      2   0.120013D+02 -0.482097D+01 -0.100569D+02  0.471170D+00  0.580931D+01
      3   0.969914D+00 -0.132803D+01  0.667246D+01 -0.217468D+01 -0.692135D-01
      4  -0.104062D+01 -0.899846D+00 -0.125399D+02 -0.138065D+01 -0.859491D+00
      5   0.767558D+01 -0.175099D+01 -0.262102D+01  0.169567D+01  0.560051D+01
      6   0.166902D+01  0.251145D+00  0.500127D+01  0.305189D+01  0.118664D+00
                26            27            28            29            30 
      1  -0.510400D+00  0.120231D+02 -0.115179D+02 -0.574104D-02  0.211253D-01
      2  -0.662306D+00  0.473241D+01  0.233613D+01 -0.416941D-03 -0.248629D-01
      3   0.117271D+01 -0.167555D+02  0.918181D+01  0.615798D-02  0.373758D-02
      4   0.445024D+00 -0.167051D+01 -0.624018D-03 -0.596397D+01 -0.477845D+01
      5  -0.525098D+00  0.810765D+01  0.185374D-01 -0.285185D+01 -0.193840D+01
      6   0.280371D+01  0.310127D+01 -0.259029D+01 -0.431665D-02  0.613288D-02
                31            32            33            34            35 
      1  -0.147291D-01  0.206642D+01 -0.491965D+01  0.172997D-01 -0.795141D+01
      2   0.135633D-01 -0.106469D+02  0.636885D+01 -0.225910D-01  0.872313D+01
      3   0.116580D-02  0.858050D+01 -0.144920D+01  0.529128D-02 -0.771718D+00
      4  -0.739285D+01  0.466028D-02 -0.239433D-01 -0.829159D+01 -0.151585D-01
      5  -0.253710D+01 -0.668808D-02 -0.740452D-02  0.540282D+01 -0.416127D-02
      6  -0.513175D-02  0.343153D+01 -0.151741D+01  0.813263D-02  0.413682D+01
                36            37            38            39            40 
      1  -0.550838D+00 -0.839049D+01  0.168409D+01  0.109408D+02  0.562783D+00
      2  -0.570478D+00  0.127010D+02 -0.392520D+01 -0.816760D+01  0.903461D+00
      3   0.112132D+01 -0.431051D+01  0.224111D+01 -0.277325D+01 -0.146624D+01
      4  -0.511364D-02  0.126158D+02  0.684351D+01 -0.879108D+01  0.108721D+02
      5   0.139862D-01  0.300321D+01 -0.119373D+02  0.210495D+01 -0.115601D+02
      6  -0.894930D+00 -0.415441D+01 -0.564232D+01  0.670937D+01 -0.463554D+01
                41            42            43            44            45 
      1  -0.664917D+01 -0.562821D+01  0.918474D+01 -0.568747D+01  0.674642D+01
      2   0.570694D+01 -0.475169D+01 -0.492290D+01 -0.104932D+01  0.303514D+01
      3   0.942236D+00  0.103799D+02 -0.426184D+01  0.673679D+01 -0.978156D+01
      4   0.976286D+01 -0.101682D+02 -0.307221D+01 -0.623409D+01  0.287282D+01
      5  -0.505771D+01  0.371164D+01  0.110604D+01  0.107470D+01  0.195967D+01
      6  -0.340517D+01  0.556459D+00  0.441600D+01 -0.474813D+00  0.714114D+01
                46            47            48            49            50 
      1  -0.812163D+01  0.126658D+01 -0.139710D+02  0.243892D+01 -0.115698D+01
      2   0.184817D+01 -0.197613D+01  0.182671D+02 -0.746424D+01 -0.432817D-01
      3   0.627346D+01  0.709549D+00 -0.429608D+01  0.502532D+01  0.120026D+01
      4  -0.140897D+02 -0.881989D+01  0.907932D+01 -0.162308D+02 -0.123112D+02
      5  -0.335599D+01  0.138033D+02 -0.904722D+01  0.145604D+02  0.135893D+02
      6   0.215437D+01  0.158061D+02 -0.100059D+02  0.162850D+02  0.130876D+02
                51            52            53            54            55 
      1   0.639405D+01 -0.165940D+02  0.740169D+01 -0.939120D+01  0.409101D+01
      2   0.781958D+01  0.207346D+02  0.513433D+01  0.453083D+01 -0.418811D+01
      3  -0.142136D+02 -0.414056D+01 -0.125360D+02  0.486037D+01  0.971013D-01
      4   0.216657D+02  0.134461D+02  0.256183D+02 -0.117783D+02  0.315437D+01
      5  -0.196810D+01 -0.135677D+02 -0.447514D+01  0.139443D+01  0.148751D+01
      6  -0.554990D+01 -0.128994D+02 -0.578479D+01  0.241715D+01  0.495356D+01
                56            57            58            59            60 
      1   0.490289D+01  0.110112D+02  0.229929D+01  0.183676D+02  0.384187D+01
      2  -0.767646D+01 -0.208595D+02 -0.778285D+00 -0.275115D+02 -0.154341D+02
      3   0.277356D+01  0.984825D+01 -0.152101D+01  0.914394D+01  0.115922D+02
      4  -0.941713D+01  0.173126D+00 -0.305115D+01 -0.125782D+02 -0.213620D+02
      5  -0.336951D+01 -0.105776D+01 -0.353198D+01 -0.958660D+01 -0.444974D+01
      6  -0.189437D+02  0.371690D+01 -0.181450D+02 -0.211480D+02 -0.117552D+02
                61            62            63            64            65 
      1   0.142010D+02  0.873997D+01  0.106825D+02  0.226350D+01 -0.553371D+01
      2  -0.224594D+02 -0.197184D+02 -0.148211D+02 -0.118998D+01  0.539098D+01
      3   0.825835D+01  0.109784D+02  0.413860D+01 -0.107353D+01  0.142730D+00
      4   0.198727D+01 -0.251635D+02  0.137405D+01  0.836552D+01  0.142416D+01
      5  -0.270513D+00 -0.403481D+01 -0.129725D+01  0.294992D+01 -0.317242D+01
      6   0.431918D+01 -0.173507D+02 -0.118173D+01 -0.708526D+01  0.867544D+01
                66            67            68            69            70 
      1  -0.117001D+01 -0.539331D+01 -0.114537D+02 -0.501901D+01 -0.228455D+01
      2   0.114014D+02  0.187881D+01  0.137828D+02  0.794319D+01  0.102119D+02
      3  -0.102314D+02  0.351450D+01 -0.232912D+01 -0.292418D+01 -0.792734D+01
      4  -0.298705D+01 -0.271486D+01  0.168053D+02  0.125064D+02 -0.307148D+01
      5  -0.390777D+01 -0.197926D+01  0.179899D+01  0.278111D+01 -0.260933D+01
      6   0.427031D-02  0.941853D+01  0.124746D+02  0.572721D+01 -0.150928D+01
                71            72            73            74            75 
      1  -0.214230D+01  0.132753D+01  0.178198D+02 -0.136580D+02  0.129284D+02
      2   0.173629D+01  0.702965D+01 -0.181483D+02  0.101006D+02 -0.120042D+02
      3   0.406016D+00 -0.835717D+01  0.328572D+00  0.355741D+01 -0.924242D+00
      4   0.640702D+01 -0.898649D+00 -0.502644D+01 -0.120021D+01 -0.959952D+00
      5   0.187352D+01 -0.558583D+01  0.119678D+02 -0.326342D+01  0.771884D+01
      6   0.285767D+01 -0.523077D+01 -0.774135D+01 -0.147257D+01 -0.167229D+01
                76            77            78            79            80 
      1  -0.607833D+01  0.317372D+01  0.171960D+01  0.572821D+01 -0.526128D+00
      2   0.477540D+01 -0.989566D+01  0.383614D+00 -0.581537D+01 -0.724864D+00
      3   0.130292D+01  0.672194D+01 -0.210322D+01  0.871687D-01  0.125099D+01
      4  -0.102976D+01  0.125779D+02  0.139758D+01 -0.823660D+00 -0.431521D+00
      5  -0.171515D+01  0.259752D+01 -0.163951D+01  0.562081D+01  0.564193D+00
      6  -0.312882D+00  0.497086D+01  0.303893D+01 -0.118461D+00  0.278986D+01
                81            82            83            84            85 
      1   0.120769D+02 -0.824588D+01 -0.167301D+01 -0.109028D+02 -0.581271D+00
      2   0.470479D+01  0.125907D+02  0.398892D+01  0.818449D+01 -0.797110D+00
      3  -0.167817D+02 -0.434477D+01 -0.231591D+01  0.271827D+01  0.137838D+01
      4   0.171911D+01 -0.127441D+02  0.684787D+01 -0.891481D+01  0.108740D+02
      5  -0.809098D+01 -0.293131D+01 -0.120047D+02  0.207943D+01 -0.116139D+02
      6   0.313231D+01 -0.419466D+01  0.564773D+01 -0.673366D+01  0.462243D+01
                86            87            88            89            90 
      1  -0.657333D+01 -0.576795D+01 -0.918346D+01 -0.580596D+01  0.670994D+01
      2   0.567825D+01 -0.463402D+01  0.494512D+01 -0.950424D+00  0.298029D+01
      3   0.895078D+00  0.104020D+02  0.423835D+01  0.675638D+01 -0.969024D+01
      4  -0.978759D+01  0.101483D+02 -0.315202D+01  0.621234D+01 -0.285953D+01
      5   0.497340D+01 -0.374087D+01  0.106411D+01 -0.109674D+01 -0.196683D+01
      6  -0.335905D+01  0.482507D+00 -0.443859D+01 -0.519603D+00  0.712248D+01
                91            92            93            94            95 
      1  -0.823392D+01 -0.130711D+01  0.138790D+02 -0.239439D+01 -0.128805D+01
      2   0.192524D+01  0.201327D+01 -0.182658D+02  0.740824D+01  0.432340D-01
      3   0.630868D+01 -0.706154D+00  0.438684D+01 -0.501385D+01  0.124482D+01
      4   0.141246D+02 -0.885760D+01  0.932259D+01 -0.162904D+02  0.123181D+02
      5   0.323396D+01  0.139541D+02 -0.903915D+01  0.147034D+02 -0.135183D+02
      6   0.230377D+01 -0.158308D+02  0.993932D+01 -0.162935D+02  0.129257D+02
                96            97            98            99           100 
      1   0.664175D+01  0.164721D+02  0.769449D+01 -0.943143D+01  0.416106D+01
      2   0.757959D+01 -0.206749D+02  0.483789D+01  0.461886D+01 -0.427647D+01
      3  -0.142213D+02  0.420281D+01 -0.125324D+02  0.481257D+01  0.115411D+00
      4  -0.216515D+02  0.137107D+02 -0.255620D+02  0.116461D+02 -0.305290D+01
      5   0.193824D+01 -0.135681D+02  0.440495D+01 -0.141745D+01 -0.147584D+01
      6  -0.546600D+01  0.128020D+02 -0.568133D+01  0.242206D+01  0.476567D+01
               101           102           103           104           105 
      1  -0.482495D+01 -0.110460D+02 -0.226172D+01  0.181611D+02  0.359366D+01
      2   0.757046D+01  0.209629D+02  0.715344D+00 -0.271849D+02 -0.150857D+02
      3  -0.274551D+01 -0.991689D+01  0.154637D+01  0.902389D+01  0.114920D+02
      4  -0.957197D+01 -0.772367D-01 -0.313076D+01  0.125649D+02  0.214495D+02
      5  -0.350447D+01 -0.109266D+01 -0.365539D+01  0.963492D+01  0.452475D+01
      6   0.190871D+02 -0.357246D+01  0.182561D+02 -0.209007D+02 -0.118228D+02
               106           107           108           109           110 
      1  -0.142686D+02  0.846331D+01  0.107039D+02  0.226636D+01  0.555990D+01
      2   0.225868D+02 -0.193603D+02 -0.148945D+02 -0.123055D+01 -0.539341D+01
      3  -0.831821D+01  0.108970D+02  0.419062D+01 -0.103581D+01 -0.166485D+00
      4   0.170293D+01  0.253219D+02 -0.116559D+01 -0.833939D+01  0.149976D+01
      5  -0.292791D+00  0.415571D+01  0.132693D+01 -0.292253D+01 -0.313606D+01
      6  -0.414007D+01 -0.174508D+02 -0.126390D+01 -0.700312D+01 -0.876475D+01
               111           112           113           114           115 
      1   0.120388D+01  0.544770D+01 -0.112363D+02 -0.492046D+01  0.231773D+01
      2  -0.114373D+02 -0.192301D+01  0.135382D+02  0.776138D+01 -0.102374D+02
      3   0.102334D+02 -0.352468D+01 -0.230189D+01 -0.284092D+01  0.791972D+01
      4  -0.286671D+01 -0.265951D+01 -0.168737D+02 -0.125526D+02 -0.298116D+01
      5  -0.387228D+01 -0.194810D+01 -0.184998D+01 -0.282074D+01 -0.258734D+01
      6  -0.721494D-01 -0.949003D+01  0.123976D+02  0.575202D+01  0.145768D+01
               116           117           118           119           120 
      1  -0.209679D+01  0.131882D+01  0.322677D+02 -0.228531D+01  0.105864D+02
      2   0.163276D+01  0.708326D+01 -0.182709D+02  0.510223D+01 -0.740106D+01
      3   0.464029D+00 -0.840208D+01 -0.139968D+02 -0.281693D+01 -0.318538D+01
      4  -0.645333D+01  0.839141D+00  0.165824D+02  0.746254D+01  0.329893D+01
      5  -0.190309D+01  0.559083D+01  0.107184D+02 -0.177112D+01  0.955950D+01
      6   0.289878D+01 -0.517737D+01  0.513950D+01 -0.689443D+00  0.543227D+01
               121           122           123           124           125 
      1  -0.850804D+01  0.632382D+01 -0.427305D+01  0.174737D+02 -0.307922D+01
      2   0.751800D+01 -0.573293D+01  0.267068D+01 -0.129027D+02  0.465517D+01
      3   0.990036D+00 -0.590887D+00  0.160236D+01 -0.457103D+01 -0.157595D+01
      4   0.377453D+01 -0.282609D+00  0.182853D+00  0.762679D+01  0.219857D+01
      5  -0.334975D+01  0.252447D+01 -0.227698D+01  0.136972D+02  0.135449D+00
      6  -0.168464D+01  0.620015D+00  0.331091D+00  0.796281D+01  0.201325D+01
               126           127           128           129           130 
      1   0.953563D+01  0.146987D+02  0.703841D+01 -0.384797D+01  0.230559D+01
      2  -0.797434D+01  0.148563D+00  0.474095D+01 -0.962020D+00  0.111684D+02
      3  -0.156129D+01 -0.148473D+02 -0.117794D+02  0.480999D+01 -0.134740D+02
      4   0.582040D+01  0.297149D+02  0.241930D+02 -0.128953D+02  0.265556D+02
      5   0.125562D+02 -0.115584D+02 -0.960421D+01  0.102011D+02 -0.907700D+01
      6   0.791365D+01 -0.113249D+02 -0.972956D+01  0.847395D+01 -0.122496D+02
               131           132           133           134           135 
      1  -0.631381D+01  0.135528D+01 -0.244900D+01  0.151065D+01  0.379237D-01
      2   0.242021D+02 -0.756966D+01 -0.359476D+01 -0.847475D+01  0.247319D+01
      3  -0.178883D+02  0.621438D+01  0.604376D+01  0.696410D+01 -0.251112D+01
      4   0.334398D+02 -0.149635D+02 -0.203393D+02 -0.209046D+02  0.175693D+02
      5  -0.116313D+02  0.803640D+01  0.152823D+02  0.126255D+02 -0.149078D+02
      6  -0.173607D+02  0.127806D+02  0.149965D+02  0.172667D+02 -0.175784D+02
               136           137           138           139           140 
      1  -0.546813D+01  0.864387D+01 -0.377664D+01  0.500091D+01 -0.162549D+02
      2   0.836845D+01 -0.156109D+02  0.656108D+01 -0.829102D+01  0.269870D+02
      3  -0.290031D+01  0.696704D+01 -0.278443D+01  0.329011D+01 -0.107321D+02
      4  -0.147439D+02  0.857168D+01 -0.610566D+01  0.645048D+01 -0.479627D+01
      5   0.152259D+01 -0.367277D+00  0.146456D+01 -0.396315D+00  0.966731D+00
      6  -0.759076D+01  0.684118D+01 -0.756130D+01  0.458259D+01 -0.720960D+01
               141           142           143           144           145 
      1   0.462392D+01 -0.674737D+01  0.983144D+01 -0.884741D+01 -0.202546D+01
      2  -0.632669D+01  0.740883D+01 -0.139127D+02  0.977823D+01  0.853961D+01
      3   0.170276D+01 -0.661465D+00  0.408124D+01 -0.930820D+00 -0.651415D+01
      4   0.386016D+01 -0.872351D+01  0.613833D+01 -0.510068D+01  0.122085D+02
      5   0.425490D+00  0.178180D+01  0.536827D+00 -0.246093D+00  0.335286D+01
      6   0.837413D+01 -0.724184D+01  0.143845D+02 -0.154592D+02  0.568378D+01
               146           147           148           149           150 
      1  -0.261268D+01 -0.183624D+01 -0.416540D+01 -0.336649D+02 -0.116239D+02
      2   0.115923D+02  0.481320D+01  0.114148D+02  0.623460D+02  0.191929D+02
      3  -0.897965D+01 -0.297696D+01 -0.724941D+01 -0.286812D+02 -0.756897D+01
      4   0.196025D+02  0.668232D+01  0.134961D+02  0.267839D+02  0.969065D+01
      5   0.541965D+01  0.461578D+01  0.312093D+01  0.915158D+01  0.509605D+01
      6   0.810638D+01  0.461877D+01  0.730800D+01  0.272088D+02  0.170983D+02
               151           152           153           154           155 
      1  -0.330523D+01 -0.180822D+02 -0.126626D+02 -0.555005D+01 -0.869712D+01
      2   0.636466D+01  0.275625D+02  0.158150D+02  0.844249D+01  0.156698D+02
      3  -0.305943D+01 -0.948031D+01 -0.315235D+01 -0.289243D+01 -0.697270D+01
      4   0.704895D+01  0.160162D+02  0.918737D+01  0.146273D+02  0.855904D+01
      5   0.447467D+01  0.828729D+01  0.701917D+01 -0.147531D+01 -0.340682D+00
      6   0.610059D+01  0.265517D+02  0.199667D+02 -0.752704D+01 -0.684102D+01
               156           157           158           159           160 
      1   0.380147D+01 -0.503424D+01 -0.164228D+02  0.467372D+01  0.677584D+01
      2  -0.659272D+01  0.831161D+01  0.272655D+02 -0.640764D+01 -0.744011D+01
      3   0.279125D+01 -0.327738D+01 -0.108427D+02  0.173391D+01  0.664271D+00
      4  -0.603130D+01  0.646753D+01  0.471734D+01 -0.384198D+01 -0.862533D+01
      5   0.143151D+01 -0.376244D+00 -0.935563D+00 -0.461189D+00  0.174873D+01
      6   0.750693D+01 -0.458504D+01 -0.727057D+01  0.842085D+01  0.716225D+01
               161           162           163           164           165 
      1   0.992652D+01 -0.887616D+01 -0.195226D+01  0.259065D+01  0.183968D+01
      2  -0.140495D+02  0.984668D+01  0.851995D+01 -0.116446D+02 -0.485618D+01
      3   0.412296D+01 -0.970520D+00 -0.656769D+01  0.905393D+01  0.301649D+01
      4  -0.608503D+01  0.500301D+01 -0.124039D+02  0.197210D+02  0.678442D+01
      5  -0.593105D+00  0.307792D+00 -0.343550D+01  0.550295D+01  0.468379D+01
      6   0.144216D+02 -0.154060D+02  0.576692D+01 -0.821558D+01 -0.471425D+01
               166           167           168           169           170 
      1   0.417460D+01 -0.333078D+02 -0.115469D+02  0.332957D+01 -0.179615D+02
      2  -0.114859D+02  0.617779D+02  0.190877D+02 -0.642769D+01  0.274062D+02
      3   0.731130D+01 -0.284701D+02 -0.754072D+01  0.309812D+01 -0.944473D+01
      4   0.136001D+02 -0.269591D+02 -0.980671D+01  0.718395D+01 -0.162084D+02
      5   0.318716D+01 -0.924165D+01 -0.516272D+01  0.455725D+01 -0.840892D+01
      6  -0.740642D+01  0.271413D+02  0.171017D+02 -0.623209D+01  0.265613D+02
               171           172           173           174           175 
      1  -0.126231D+02  0.323611D+02  0.237343D+01 -0.105797D+02  0.861878D+01
      2   0.157479D+02 -0.183668D+02 -0.512454D+01  0.741363D+01 -0.756131D+01
      3  -0.312476D+01 -0.139943D+02  0.275111D+01  0.316604D+01 -0.105747D+01
      4  -0.934555D+01 -0.163946D+02  0.741732D+01  0.320623D+01  0.375708D+01
      5  -0.714413D+01 -0.106963D+02 -0.182377D+01  0.955327D+01 -0.339422D+01
      6   0.200489D+02  0.507319D+01  0.708213D+00 -0.538155D+01  0.169994D+01
               176           177           178           179           180 
      1   0.638923D+01 -0.431639D+01 -0.174921D+02 -0.314899D+01  0.956225D+01
      2  -0.580836D+01  0.269383D+01  0.129362D+02  0.469574D+01 -0.800981D+01
      3  -0.580861D+00  0.162256D+01  0.455589D+01 -0.154675D+01 -0.155244D+01
      4   0.399306D+00 -0.189101D+00  0.747140D+01 -0.218235D+01 -0.571879D+01
      5  -0.254904D+01  0.232194D+01  0.136973D+02 -0.649920D-01 -0.125460D+02
      6   0.608668D+00  0.305144D+00 -0.789133D+01  0.196962D+01  0.783468D+01
               181           182           183           184           185 
      1   0.149581D+02 -0.713559D+01  0.393151D+01 -0.242057D+01 -0.610551D+01
      2   0.712993D-02 -0.468018D+01  0.907455D+00 -0.110920D+02  0.239495D+02
      3  -0.149652D+02  0.118158D+02 -0.483896D+01  0.135126D+02 -0.178440D+02
      4  -0.298716D+02  0.242345D+02 -0.129416D+02  0.266369D+02 -0.334204D+02
      5   0.116559D+02 -0.964168D+01  0.102457D+02 -0.912320D+01  0.116202D+02
      6  -0.113593D+02  0.972039D+01 -0.847288D+01  0.122377D+02 -0.172326D+02
               186           187           188           189           190 
      1   0.125211D+01  0.258404D+01  0.135714D+01  0.162546D+00  0.206757D+02
      2  -0.745575D+01  0.348821D+01 -0.830633D+01  0.235870D+01 -0.169492D+02
      3   0.620363D+01 -0.607225D+01  0.694919D+01 -0.252125D+01 -0.372643D+01
      4   0.149458D+02 -0.204055D+02  0.208582D+02 -0.175578D+02  0.141391D+01
      5  -0.803934D+01  0.153572D+02 -0.126195D+02  0.149413D+02  0.160041D+02
      6   0.127112D+02 -0.149823D+02  0.171540D+02 -0.174920D+02  0.771787D+00
               191           192           193           194           195 
      1   0.536980D+01  0.802464D+01  0.816747D+01  0.561296D+01  0.396242D+01
      2  -0.708142D+01 -0.972352D+01 -0.910016D+01 -0.623482D+01 -0.645300D+01
      3   0.171162D+01  0.169889D+01  0.932693D+00  0.621857D+00  0.249058D+01
      4   0.659284D+01  0.161230D+01  0.147541D+01  0.755649D+01  0.697269D+00
      5   0.444728D+01  0.108760D+02  0.110364D+02  0.302907D+01  0.773525D+01
      6   0.127640D+01 -0.623092D+00  0.110970D+01  0.263710D+01  0.556843D+00
               196           197           198           199           200 
      1   0.340062D+01  0.132734D+01  0.206087D+01 -0.249275D+01 -0.240876D+01
      2  -0.687074D+01 -0.218824D+01 -0.812301D+01 -0.171521D+01  0.135898D+01
      3   0.347012D+01  0.860897D+00  0.606214D+01  0.420796D+01  0.104978D+01
      4   0.292827D+01  0.424536D+00  0.211057D+01  0.619448D+01 -0.281317D+01
      5   0.808136D+01  0.369627D+01  0.893575D+01 -0.240139D+01  0.209435D+01
      6   0.390744D+00  0.145614D+01 -0.698774D+00 -0.895867D-01 -0.325676D+01
               201           202           203           204           205 
      1   0.730689D+01 -0.471106D+00 -0.517262D+01  0.638573D+01  0.252747D+01
      2   0.119437D+01 -0.461439D+00  0.203172D+01 -0.937941D+00 -0.145272D+01
      3  -0.850126D+01  0.932546D+00  0.314090D+01 -0.544779D+01 -0.107474D+01
      4   0.275070D+00  0.146251D+01 -0.179585D+01  0.528630D+00 -0.318599D+01
      5  -0.195299D+00  0.327384D+00  0.108116D+01 -0.189307D+01  0.440869D+01
      6   0.594367D+01 -0.425620D+00 -0.604741D+01  0.895297D+01 -0.443868D+00
               206           207           208           209           210 
      1   0.562774D+01 -0.184658D+02 -0.156441D+00 -0.763472D+01 -0.453447D+01
      2  -0.927178D-01 -0.115511D+02 -0.277069D+00  0.963106D+01  0.194694D+01
      3  -0.553503D+01  0.300169D+02  0.433510D+00 -0.199634D+01  0.258752D+01
      4   0.315167D+01  0.553018D+00  0.177592D+02  0.786553D+01  0.847467D+01
      5  -0.230697D+01  0.114276D+02  0.918871D+01  0.578229D+01  0.577444D+01
      6   0.743327D+01 -0.176616D+02  0.964661D+01  0.111596D+02  0.102451D+02
               211           212           213           214           215 
      1  -0.219073D+01 -0.315934D+01 -0.186370D+01 -0.167535D+01 -0.144908D+01
      2   0.299807D+01  0.693004D+01  0.155014D+01 -0.725200D+00 -0.130211D+01
      3  -0.807340D+00 -0.377070D+01  0.313555D+00  0.240055D+01  0.275118D+01
      4   0.805101D+01  0.769127D+01  0.502278D+01  0.441120D+01  0.405707D+01
      5   0.294706D+01  0.326720D+01  0.227984D+01  0.470340D+01  0.224927D+01
      6   0.558287D+01  0.519826D+01  0.546795D+01  0.557894D+01  0.500920D+01
               216           217           218           219           220 
      1  -0.405054D+01 -0.579169D+00  0.329945D+01  0.244727D+01  0.282605D+00
      2  -0.194798D+01 -0.366168D+01 -0.411169D+01  0.637164D+01 -0.131311D+01
      3   0.599852D+01  0.424085D+01  0.812239D+00 -0.881891D+01  0.103050D+01
      4   0.552471D+01 -0.356868D+01  0.442903D+01  0.450934D+01  0.548807D+00
      5   0.369237D+01 -0.492023D+01  0.187700D+01  0.856455D+01  0.276585D+00
      6   0.846831D+01  0.444669D+01 -0.308809D+01 -0.716290D+01 -0.106102D+00
               221           222           223           224           225 
      1   0.277394D+01  0.161786D+01  0.182422D+01 -0.491581D+01 -0.120503D+02
      2  -0.590376D+01  0.247586D+01  0.359430D+01  0.295729D+01 -0.164759D+02
      3   0.312983D+01 -0.409372D+01 -0.541852D+01  0.195852D+01  0.285262D+02
      4   0.210151D+01  0.691368D+00  0.365020D+01 -0.201577D+01 -0.287120D+01
      5  -0.138855D+01  0.970142D+00  0.565763D+01 -0.120872D+01 -0.996129D+01
      6  -0.192659D+01  0.730786D+00 -0.326155D+01  0.645420D+01  0.189700D+02
               226           227           228           229           230 
      1  -0.857681D+00 -0.513342D+00 -0.130630D+01 -0.579129D+01 -0.117651D+02
      2   0.435354D+01 -0.231591D+01  0.170890D+01  0.147076D+01  0.213352D+02
      3  -0.349586D+01  0.282925D+01 -0.402601D+00  0.432052D+01 -0.957007D+01
      4  -0.326395D+01  0.542654D+01  0.166658D+00  0.858860D+01 -0.213714D+02
      5  -0.147887D+01 -0.354388D+00  0.538158D-01 -0.489699D+01  0.278912D+01
      6   0.210712D+00  0.508013D+00 -0.166789D+00  0.385144D+01 -0.123554D+02
               231           232           233           234           235 
      1   0.165019D+01 -0.532874D+01  0.208619D+01 -0.420202D+01 -0.257762D+01
      2  -0.251214D+00  0.354341D+01  0.103597D+01  0.227072D+01 -0.244830D+00
      3  -0.139898D+01  0.178533D+01 -0.312216D+01  0.193130D+01  0.282245D+01
      4   0.441765D+01  0.174182D+01 -0.223675D+01 -0.202047D+01  0.919227D+00
      5  -0.465677D+01 -0.119701D+01 -0.188269D+01  0.138588D+00  0.219594D+00
      6   0.550840D+01  0.155065D-01  0.277984D+01 -0.201164D+01  0.123166D+01
               236           237           238           239           240 
      1   0.867674D+00  0.371643D+01  0.361967D+01 -0.351961D+01  0.998534D+00
      2  -0.171053D+01  0.100593D+01 -0.375428D+01  0.725229D+00 -0.329999D+01
      3   0.842859D+00 -0.472236D+01  0.134608D+00  0.279439D+01  0.230146D+01
      4  -0.504843D+00  0.141466D+00  0.848797D+00 -0.930822D+00  0.237339D+01
      5   0.118920D+01  0.189810D+01  0.176900D+01  0.157537D+01  0.175960D+01
      6  -0.809623D+00  0.186055D+01  0.118006D+00 -0.200086D+01  0.468059D+01
               241           242           243           244           245 
      1   0.400828D+01  0.400624D+01 -0.210287D+02 -0.898545D-01  0.759542D+01
      2  -0.605213D+01  0.831129D+00 -0.163314D+02 -0.344127D+00 -0.960889D+01
      3   0.204385D+01 -0.483737D+01  0.373602D+02  0.433982D+00  0.201347D+01
      4  -0.149242D+01  0.344395D+01 -0.267876D+01 -0.178209D+02  0.789797D+01
      5   0.681844D+01 -0.401063D+01  0.220217D+02 -0.924902D+01  0.580599D+01
      6  -0.147781D+01  0.542876D+01 -0.102461D+02  0.969152D+01 -0.111345D+02
               246           247           248           249           250 
      1   0.449356D+01  0.215055D+01 -0.307527D+01 -0.181832D+01  0.166282D+01
      2  -0.190029D+01 -0.297301D+01  0.682977D+01  0.150844D+01  0.752052D+00
      3  -0.259327D+01  0.822463D+00 -0.375450D+01  0.309881D+00 -0.241487D+01
      4   0.853089D+01  0.803038D+01 -0.767796D+01 -0.501067D+01  0.444013D+01
      5   0.582824D+01  0.294569D+01 -0.325625D+01 -0.227663D+01  0.473582D+01
      6  -0.102599D+02 -0.556215D+01  0.513060D+01  0.543567D+01 -0.558971D+01
               251           252           253           254           255 
      1  -0.142462D+01 -0.402569D+01 -0.591591D+00 -0.335056D+01 -0.248995D+01
      2  -0.132734D+01 -0.198003D+01 -0.365966D+01  0.415275D+01 -0.635711D+01
      3   0.275196D+01  0.600573D+01  0.425125D+01 -0.802193D+00  0.884706D+01
      4  -0.404724D+01 -0.553771D+01  0.357976D+01  0.443555D+01  0.454437D+01
      5  -0.225265D+01 -0.372658D+01  0.491669D+01  0.188961D+01  0.856444D+01
      6   0.500102D+01  0.848004D+01  0.447098D+01  0.312878D+01  0.722588D+01
               256           257           258           259           260 
      1  -0.302956D+00  0.277511D+01  0.159952D+01 -0.183592D+01 -0.494984D+01
      2   0.132944D+01 -0.589057D+01  0.243541D+01 -0.359226D+01  0.294939D+01
      3  -0.102648D+01  0.311546D+01 -0.403494D+01  0.542819D+01  0.200045D+01
      4   0.571875D+00 -0.203991D+01 -0.672959D+00  0.366413D+01  0.200974D+01
      5   0.290197D+00  0.140598D+01 -0.937057D+00  0.565262D+01  0.121865D+01
      6   0.135361D+00 -0.188782D+01  0.769993D+00  0.327977D+01  0.649630D+01
               261           262           263           264           265 
      1  -0.120698D+02  0.208116D+02 -0.539690D+01 -0.803754D+01 -0.816885D+01
      2  -0.164231D+02 -0.170268D+02  0.709970D+01  0.971403D+01  0.907483D+01
      3   0.284929D+02 -0.378484D+01 -0.170280D+01 -0.167650D+01 -0.905977D+00
      4   0.291594D+01 -0.134366D+01  0.659683D+01  0.155418D+01  0.145829D+01
      5   0.991973D+01 -0.160212D+02  0.440279D+01  0.108443D+02  0.109788D+02
      6   0.190467D+02  0.738368D+00 -0.127345D+01  0.650656D+00 -0.108669D+01
               266           267           268           269           270 
      1   0.563646D+01  0.393929D+01 -0.340025D+01  0.131454D+01  0.207366D+01
      2  -0.621563D+01 -0.639221D+01  0.684568D+01 -0.214642D+01 -0.807742D+01
      3   0.579171D+00  0.245292D+01 -0.344543D+01  0.831884D+00  0.600375D+01
      4  -0.750986D+01 -0.646174D+00  0.290730D+01 -0.384574D+00 -0.207781D+01
      5  -0.296875D+01 -0.766360D+01  0.804057D+01 -0.366499D+01 -0.885753D+01
      6   0.261633D+01  0.523825D+00 -0.375501D+00  0.143276D+01 -0.713441D+00
               271           272           273           274           275 
      1  -0.244487D+01  0.240388D+01 -0.730056D+01  0.453089D+00 -0.513920D+01
      2  -0.176459D+01 -0.138394D+01 -0.119656D+01  0.458815D+00  0.200959D+01
      3   0.420946D+01 -0.101994D+01  0.849712D+01 -0.911904D+00  0.312961D+01
      4  -0.618030D+01 -0.282493D+01  0.262063D+00  0.142812D+01  0.176489D+01
      5   0.238023D+01  0.209907D+01 -0.180992D+00  0.343842D+00 -0.105810D+01
      6  -0.778528D-01  0.325331D+01 -0.593185D+01  0.431776D+00 -0.599628D+01
               276           277           278           279           280 
      1   0.632283D+01 -0.250791D+01  0.560214D+01 -0.184619D+02  0.661036D+01
      2  -0.938875D+00  0.144869D+01 -0.107597D+00 -0.116329D+02 -0.341247D+01
      3  -0.538396D+01  0.105922D+01 -0.549454D+01  0.300947D+02 -0.319789D+01
      4  -0.515484D+00 -0.319851D+01 -0.316796D+01 -0.567550D+00  0.463017D+01
      5   0.186057D+01  0.442286D+01  0.230513D+01 -0.114538D+02  0.809603D+01
      6   0.889609D+01  0.463770D+00  0.741013D+01 -0.176670D+02  0.216670D+01
               281           282           283           284           285 
      1   0.363672D+01  0.681986D+01  0.763863D+01 -0.539358D+00 -0.194123D+01
      2  -0.134262D+01 -0.373903D+01 -0.392232D+01  0.361216D+01 -0.286699D+00
      3  -0.229409D+01 -0.308083D+01 -0.371632D+01 -0.307281D+01  0.222793D+01
      4   0.524322D+01  0.188473D+01  0.118206D+02  0.246747D+02  0.126977D+02
      5   0.248241D+01  0.510130D+01  0.643463D+01  0.135079D+02  0.146481D+02
      6   0.754027D+00  0.727007D+00  0.439218D+01  0.120419D+02  0.835521D+01
               286           287           288           289           290 
      1   0.802423D+01 -0.185688D+01 -0.725750D+00  0.678639D+02 -0.170911D+02
      2  -0.611396D+01 -0.107638D+01 -0.388720D+01 -0.374840D+02  0.842782D+01
      3  -0.191027D+01  0.293326D+01  0.461295D+01 -0.303799D+02  0.866332D+01
      4   0.359303D+01  0.884697D+01  0.892638D+01 -0.219545D+02  0.132549D+02
      5   0.880580D+01  0.937723D+01  0.136361D+02  0.283062D+02 -0.755331D+01
      6   0.231230D+01  0.751831D+01  0.693586D+01 -0.481649D+01  0.302229D+01
               291           292           293           294           295 
      1   0.178739D+02 -0.272490D+02  0.134060D+02 -0.754049D+01  0.156545D+02
      2  -0.113596D+02  0.137274D+02 -0.570907D+01  0.495629D+01 -0.122176D+02
      3  -0.651435D+01  0.135216D+02 -0.769691D+01  0.258420D+01 -0.343687D+01
      4  -0.647804D+01  0.209783D+02 -0.136288D+02  0.910700D+01 -0.607811D+01
      5   0.172180D+02 -0.129254D+02  0.100805D+02 -0.770488D+01  0.217406D+02
      6  -0.194656D+01  0.570775D+01 -0.347051D+01  0.431977D+01 -0.327109D+01
               296           297           298           299           300 
      1  -0.395235D+01  0.121487D+02  0.676030D+02  0.172379D+02 -0.177451D+02
      2   0.356473D+01 -0.989203D+01 -0.372266D+02 -0.845630D+01  0.112413D+02
      3   0.387620D+00 -0.225668D+01 -0.303763D+02 -0.878165D+01  0.650387D+01
      4   0.587916D+01 -0.576266D+01  0.222753D+02  0.134180D+02 -0.653424D+01
      5  -0.617927D+01  0.134030D+02 -0.281031D+02 -0.758503D+01  0.171088D+02
      6   0.376638D+01 -0.281561D+01 -0.487180D+01 -0.304856D+01  0.198398D+01
               301           302           303           304           305 
      1   0.273868D+02  0.135186D+02 -0.752750D+01 -0.155322D+02 -0.394804D+01
      2  -0.137171D+02 -0.569539D+01  0.491743D+01  0.120947D+02  0.354969D+01
      3  -0.136697D+02 -0.782322D+01  0.261007D+01  0.343752D+01  0.398358D+00
      4   0.212197D+02  0.138699D+02 -0.916224D+01 -0.613832D+01 -0.591666D+01
      5  -0.129394D+02 -0.101233D+02  0.773331D+01  0.216310D+02  0.623224D+01
      6  -0.574858D+01 -0.353247D+01  0.433975D+01  0.332997D+01  0.379288D+01
               306           307           308           309           310 
      1   0.120773D+02  0.677461D+01 -0.366599D+01 -0.683694D+01 -0.773540D+01
      2  -0.980103D+01 -0.350751D+01  0.136532D+01  0.376160D+01  0.399211D+01
      3  -0.227622D+01 -0.326710D+01  0.230066D+01  0.307534D+01  0.374329D+01
      4   0.583707D+01 -0.469228D+01  0.534279D+01  0.191561D+01  0.119241D+02
      5  -0.132985D+02 -0.816501D+01  0.252801D+01  0.517455D+01  0.651030D+01
      6  -0.285354D+01  0.216073D+01 -0.796477D+00 -0.751948D+00 -0.442578D+01
               311           312           313           314           315 
      1  -0.315210D+00 -0.181649D+01 -0.805723D+01 -0.178273D+01 -0.627156D+00
      2   0.342054D+01 -0.381882D+00  0.614954D+01 -0.113230D+01 -0.395225D+01
      3  -0.310533D+01  0.219837D+01  0.190769D+01  0.291503D+01  0.457941D+01
      4  -0.246679D+02 -0.127047D+02  0.359848D+01 -0.884735D+01 -0.892640D+01
      5  -0.135313D+02 -0.146725D+02  0.886757D+01 -0.938458D+01 -0.136639D+02
      6   0.119496D+02  0.828005D+01 -0.232591D+01  0.746664D+01  0.687365D+01
               316           317           318           319           320 
      1  -0.253623D+01 -0.872628D+00 -0.370070D+01 -0.363683D+01 -0.353173D+01
      2  -0.279447D+00  0.170211D+01 -0.984589D+00  0.377520D+01  0.742671D+00
      3   0.281567D+01 -0.829480D+00  0.468529D+01 -0.138377D+00  0.278906D+01
      4  -0.929147D+00 -0.520572D+00  0.141201D+00  0.814606D+00  0.901268D+00
      5  -0.246128D+00  0.118955D+01  0.192846D+01  0.179012D+01 -0.155852D+01
      6   0.123858D+01  0.814250D+00 -0.185358D+01 -0.102145D+00 -0.197707D+01
               321           322           323           324           325 
      1   0.962661D+00 -0.399684D+01  0.397067D+01 -0.210170D+02 -0.924290D+00
      2  -0.333939D+01  0.605586D+01  0.817094D+00 -0.163559D+02  0.438320D+01
      3   0.237673D+01 -0.205902D+01 -0.478776D+01  0.373729D+02 -0.345891D+01
      4  -0.236049D+01 -0.151294D+01 -0.343845D+01  0.264171D+01  0.318151D+01
      5  -0.181491D+01  0.682707D+01  0.399270D+01 -0.220506D+02  0.149704D+01
      6   0.465294D+01  0.148588D+01  0.542296D+01 -0.102525D+02  0.228692D+00
               326           327           328           329           330 
      1   0.518653D+00  0.129785D+01  0.578217D+01 -0.119183D+02  0.171012D+01
      2   0.227764D+01 -0.170785D+01 -0.148395D+01  0.214729D+02 -0.317805D+00
      3  -0.279629D+01  0.410002D+00 -0.429822D+01 -0.955458D+01 -0.139232D+01
      4   0.533541D+01  0.189860D+00  0.854913D+01  0.213191D+02 -0.444553D+01
      5  -0.342418D+00  0.415211D-01 -0.488365D+01 -0.280461D+01  0.465065D+01
      6  -0.459958D+00  0.144185D+00 -0.383589D+01 -0.124380D+02  0.555616D+01
               331           332           333 
      1   0.530485D+01  0.210846D+01 -0.422200D+01
      2  -0.353363D+01  0.100996D+01  0.227519D+01
      3  -0.177122D+01 -0.311842D+01  0.194681D+01
      4   0.175737D+01  0.221077D+01  0.200159D+01
      5  -0.118846D+01  0.187169D+01 -0.156193D+00
      6  -0.276990D-01  0.280626D+01 -0.203108D+01
 Leave Link  716 at Thu Jul  8 21:37:29 2021, MaxMem= 10737418240 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.158479D+03 -0.928005D-03 -0.172042D-02
      2  -0.928005D-03  0.156950D+03  0.629253D-01
      3  -0.172042D-02  0.629253D-01  0.124232D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.813218D+00 -0.423339D-01  0.335774D-02
      2  -0.222382D-01  0.390524D+01 -0.221902D+01
      3  -0.164569D-01 -0.202796D+01 -0.458357D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.913913D+02 -0.537418D+00  0.174912D-01
      2   0.981009D+02  0.569657D+00  0.134872D-01
      3  -0.670968D+01 -0.322383D-01 -0.309783D-01
      4  -0.556832D+00  0.100999D+03 -0.514335D+01
      5  -0.652041D-01  0.165716D+01 -0.982495D+01
      6  -0.104146D+02 -0.752897D-01 -0.559613D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.474217D+01 -0.418373D+01  0.355369D+01 -0.607690D+01  0.136927D+01
      2  -0.418373D+01  0.791758D+00 -0.531373D+00  0.136927D+01  0.294583D+01
      3   0.355369D+01 -0.531373D+00  0.860174D+00 -0.133378D+01  0.299549D+01
                 6             7             8             9            10 
      1  -0.133378D+01  0.241147D+01 -0.776000D+00  0.110745D+01  0.468660D+01
      2   0.299549D+01 -0.776000D+00  0.229096D+01  0.799207D+00  0.419047D+01
      3   0.616938D+00  0.110745D+01  0.799207D+00 -0.571831D+00 -0.354153D+01
                11            12            13            14            15 
      1   0.419047D+01 -0.354153D+01  0.609417D+01  0.143674D+01 -0.132583D+01
      2   0.847951D+00 -0.521983D+00  0.143674D+01 -0.292992D+01 -0.300078D+01
      3  -0.521983D+00  0.846291D+00 -0.132583D+01 -0.300078D+01 -0.613127D+00
                16            17            18            19            20 
      1  -0.239807D+01 -0.762238D+00  0.109945D+01 -0.904526D+01 -0.476062D+01
      2  -0.762238D+00 -0.229370D+01 -0.794641D+00 -0.476062D+01 -0.139893D+01
      3   0.109945D+01 -0.794641D+00  0.573673D+00  0.514481D+01  0.141932D+01
                21            22            23            24            25 
      1   0.514481D+01 -0.174535D+01 -0.590494D+00  0.236373D+00  0.333598D+01
      2   0.141932D+01 -0.590494D+00  0.187584D+01  0.133924D+01  0.124041D+01
      3  -0.213944D+01  0.236373D+00  0.133924D+01 -0.723065D+00 -0.200523D+01
                26            27            28            29            30 
      1   0.124041D+01 -0.200523D+01  0.177099D+01  0.118270D-01  0.371986D-02
      2   0.182869D+01 -0.958231D+00  0.118270D-01 -0.207239D+01 -0.162171D+01
      3  -0.958231D+00 -0.192730D+01  0.371986D-02 -0.162171D+01  0.240272D+00
                31            32            33            34            35 
      1   0.157837D-01 -0.204139D+01  0.193599D+01  0.863246D-02 -0.787001D-01
      2  -0.204139D+01 -0.717565D-02  0.172585D-02 -0.787001D-01  0.154496D-01
      3   0.193599D+01  0.172585D-02  0.383026D-02  0.145662D+00  0.394436D-02
                36            37            38            39            40 
      1   0.145662D+00  0.502190D+01  0.413327D+01 -0.187677D+01  0.617249D+01
      2   0.394436D-02  0.413327D+01  0.142356D+01 -0.316835D+01  0.342281D+01
      3   0.283302D-02 -0.187677D+01 -0.316835D+01  0.187411D+01 -0.384322D+01
                41            42            43            44            45 
      1   0.342281D+01 -0.384322D+01 -0.156395D+01 -0.207027D+01  0.243870D+01
      2   0.320416D+01 -0.260435D+01 -0.207027D+01 -0.140930D+01 -0.105996D+00
      3  -0.260435D+01  0.543986D+00  0.243870D+01 -0.105996D+00  0.859719D+00
                46            47            48            49            50 
      1  -0.302918D+01 -0.114361D+01 -0.300452D+00 -0.237004D+01 -0.254318D+01
      2  -0.114361D+01 -0.884076D+00  0.337588D+01 -0.254318D+01 -0.156673D+01
      3  -0.300452D+00  0.337588D+01 -0.192324D+01  0.341859D+01  0.275635D+01
                51            52            53            54            55 
      1   0.341859D+01  0.178808D+00  0.465165D+01 -0.293896D+01  0.648990D+00
      2   0.275635D+01  0.465165D+01  0.334824D+01 -0.863418D+00 -0.100412D+01
      3  -0.212822D+00 -0.293896D+01 -0.863418D+00  0.337524D+00  0.105242D+01
                56            57            58            59            60 
      1  -0.100412D+01  0.105242D+01 -0.220910D+00 -0.370959D+00 -0.294417D+01
      2  -0.223507D+01 -0.295838D+01 -0.370959D+00 -0.555213D+01 -0.343505D+01
      3  -0.295838D+01  0.914869D+00 -0.294417D+01 -0.343505D+01 -0.150249D+01
                61            62            63            64            65 
      1   0.160829D+01 -0.360449D+01  0.853533D+00  0.149690D+01  0.174720D+00
      2  -0.360449D+01 -0.505332D+01 -0.268547D+01  0.174720D+00  0.356408D+01
      3   0.853533D+00 -0.268547D+01 -0.196677D+00 -0.786563D+00  0.230387D+01
                66            67            68            69            70 
      1  -0.786563D+00 -0.478777D+00  0.860035D+00  0.167057D+01 -0.485609D+00
      2   0.230387D+01  0.860035D+00  0.112430D+02  0.488139D+01  0.103253D+01
      3  -0.557564D+00  0.167057D+01  0.488139D+01  0.161273D+01 -0.131980D+01
                71            72            73            74            75 
      1   0.103253D+01 -0.131980D+01 -0.906672D+01  0.473487D+01 -0.514520D+01
      2   0.322810D+01  0.189491D+01  0.473487D+01 -0.135399D+01  0.141194D+01
      3   0.189491D+01 -0.893174D+00 -0.514520D+01  0.141194D+01 -0.215280D+01
                76            77            78            79            80 
      1   0.171110D+01 -0.554849D+00  0.222855D+00 -0.334219D+01  0.124222D+01
      2  -0.554849D+00 -0.188377D+01 -0.134008D+01  0.124222D+01 -0.183067D+01
      3   0.222855D+00 -0.134008D+01  0.703474D+00 -0.201788D+01  0.941909D+00
                81            82            83            84            85 
      1  -0.201788D+01  0.506079D+01 -0.412585D+01  0.188991D+01 -0.617242D+01
      2   0.941909D+00 -0.412585D+01  0.141520D+01 -0.318205D+01  0.340503D+01
      3   0.192844D+01  0.188991D+01 -0.318205D+01  0.186788D+01 -0.385773D+01
                86            87            88            89            90 
      1   0.340503D+01 -0.385773D+01  0.156262D+01 -0.207501D+01  0.243039D+01
      2  -0.318872D+01  0.257603D+01 -0.207501D+01  0.138844D+01  0.114336D+00
      3   0.257603D+01 -0.538688D+00  0.243039D+01  0.114336D+00 -0.849473D+00
                91            92            93            94            95 
      1  -0.304769D+01  0.113850D+01  0.272869D+00  0.237361D+01 -0.254748D+01
      2   0.113850D+01 -0.897611D+00  0.339632D+01 -0.254748D+01  0.156030D+01
      3   0.272869D+00  0.339632D+01 -0.191249D+01  0.343679D+01 -0.272938D+01
                96            97            98            99           100 
      1   0.343679D+01 -0.212134D+00  0.466825D+01 -0.292806D+01  0.638057D+00
      2  -0.272938D+01  0.466825D+01 -0.330956D+01  0.845356D+00  0.102417D+01
      3   0.199429D+00 -0.292806D+01  0.845356D+00 -0.343267D+00 -0.102214D+01
               101           102           103           104           105 
      1   0.102417D+01 -0.102214D+01  0.227692D+00 -0.370888D+00 -0.296436D+01
      2  -0.223996D+01 -0.298317D+01 -0.370888D+00  0.550493D+01  0.339989D+01
      3  -0.298317D+01  0.894210D+00 -0.296436D+01  0.339989D+01  0.151528D+01
               106           107           108           109           110 
      1  -0.157326D+01 -0.363551D+01  0.827015D+00  0.149910D+01 -0.185786D+00
      2  -0.363551D+01  0.502161D+01  0.270422D+01 -0.185786D+00  0.359916D+01
      3   0.827015D+00  0.270422D+01  0.208561D+00  0.765898D+00  0.232560D+01
               111           112           113           114           115 
      1   0.765898D+00  0.478522D+00  0.897537D+00  0.169057D+01  0.475342D+00
      2   0.232560D+01  0.897537D+00 -0.112064D+02 -0.486252D+01  0.104735D+01
      3  -0.545965D+00  0.169057D+01 -0.486252D+01 -0.162188D+01 -0.130704D+01
               116           117           118           119           120 
      1   0.104735D+01 -0.130704D+01  0.512598D+01  0.223146D+00  0.154415D+01
      2  -0.323673D+01 -0.191402D+01  0.223146D+00  0.129056D+01 -0.266024D+00
      3  -0.191402D+01  0.891407D+00  0.154415D+01 -0.266024D+00  0.144745D+01
               121           122           123           124           125 
      1  -0.795682D+00  0.877545D+00 -0.566031D+00  0.271687D+01 -0.481781D+00
      2   0.877545D+00 -0.871905D+00  0.373232D+00 -0.481781D+00  0.863344D+00
      3  -0.566031D+00  0.373232D+00 -0.435870D+00  0.204243D+01  0.611036D-02
               126           127           128           129           130 
      1   0.204243D+01  0.456520D+01  0.299910D+01 -0.160140D+01  0.309959D+01
      2   0.611036D-02  0.299910D+01  0.269686D+01 -0.147159D+01  0.334170D+01
      3   0.211643D+01 -0.160140D+01 -0.147159D+01  0.144333D+01 -0.156420D+01
               131           132           133           134           135 
      1   0.334170D+01 -0.156420D+01 -0.285740D+01 -0.297129D+01  0.257798D+01
      2   0.562024D+01 -0.208772D+01 -0.297129D+01 -0.325772D+01  0.251183D+01
      3  -0.208772D+01  0.161418D+01  0.257798D+01  0.251183D+01 -0.275881D+01
               136           137           138           139           140 
      1  -0.250487D+01  0.110436D+01 -0.107572D+01  0.925312D+00 -0.112785D+01
      2   0.110436D+01 -0.223838D+01  0.899840D+00 -0.112785D+01  0.361128D+01
      3  -0.107572D+01  0.899840D+00 -0.117071D+01  0.561820D+00 -0.891437D+00
               141           142           143           144           145 
      1   0.561820D+00 -0.177680D+01  0.104626D+01 -0.105570D+01  0.150181D+01
      2  -0.891437D+00  0.104626D+01 -0.176851D+01  0.177027D+01  0.206521D+01
      3   0.996515D+00 -0.105570D+01  0.177027D+01 -0.220602D+01  0.576634D+00
               146           147           148           149           150 
      1   0.206521D+01  0.576634D+00  0.156437D+01  0.204346D+01  0.874634D+00
      2   0.243715D+01  0.966171D+00  0.204346D+01  0.950033D+01  0.294130D+01
      3   0.966171D+00  0.619905D+00  0.874634D+00  0.294130D+01  0.196472D+01
               151           152           153           154           155 
      1   0.520725D+00  0.160835D+01  0.815903D+00 -0.248880D+01 -0.110737D+01
      2   0.160835D+01  0.545538D+01  0.332478D+01 -0.110737D+01 -0.223966D+01
      3   0.815903D+00  0.332478D+01  0.252112D+01  0.106560D+01  0.901096D+00
               156           157           158           159           160 
      1   0.106560D+01 -0.931393D+00 -0.112583D+01  0.562817D+00  0.176373D+01
      2   0.901096D+00 -0.112583D+01 -0.364452D+01  0.899432D+00  0.104770D+01
      3  -0.116275D+01  0.562817D+00  0.899432D+00 -0.100396D+01 -0.104389D+01
               161           162           163           164           165 
      1   0.104770D+01 -0.104389D+01  0.152762D+01 -0.207907D+01 -0.589109D+00
      2   0.178322D+01 -0.177578D+01 -0.207907D+01  0.246270D+01  0.981455D+00
      3  -0.177578D+01  0.219768D+01 -0.589109D+00  0.981455D+00  0.634164D+00
               166           167           168           169           170 
      1  -0.157360D+01  0.206170D+01  0.886386D+00 -0.538385D+00  0.163237D+01
      2   0.206170D+01 -0.943984D+01 -0.293564D+01  0.163237D+01 -0.544933D+01
      3   0.886386D+00 -0.293564D+01 -0.196680D+01  0.835023D+00 -0.333009D+01
               171           172           173           174           175 
      1   0.835023D+00  0.512454D+01 -0.205394D+00 -0.153768D+01  0.814585D+00
      2  -0.333009D+01 -0.205394D+00  0.128810D+01 -0.273695D+00  0.878651D+00
      3  -0.253609D+01 -0.153768D+01 -0.273695D+00  0.144315D+01 -0.572615D+00
               176           177           178           179           180 
      1   0.878651D+00 -0.572615D+00 -0.270539D+01 -0.493875D+00  0.203715D+01
      2   0.891397D+00 -0.376605D+00 -0.493875D+00 -0.867343D+00  0.538037D-02
      3  -0.376605D+00  0.443731D+00  0.203715D+01  0.538037D-02 -0.210965D+01
               181           182           183           184           185 
      1   0.460207D+01 -0.300752D+01  0.161154D+01 -0.311060D+01  0.334564D+01
      2  -0.300752D+01  0.270176D+01 -0.147451D+01  0.334564D+01 -0.559420D+01
      3   0.161154D+01 -0.147451D+01  0.144711D+01 -0.156648D+01  0.207535D+01
               186           187           188           189           190 
      1  -0.156648D+01  0.287464D+01 -0.297196D+01  0.258304D+01  0.468218D+01
      2   0.207535D+01 -0.297196D+01  0.323424D+01 -0.250056D+01  0.954436D+00
      3  -0.160763D+01  0.258304D+01 -0.250056D+01  0.275338D+01  0.193758D+01
               191           192           193           194           195 
      1   0.954436D+00  0.193758D+01  0.272083D+01  0.191720D+00  0.192206D+01
      2   0.189941D+01  0.781841D+00  0.191720D+00  0.213208D+01 -0.103312D-01
      3   0.781841D+00  0.160069D+01  0.192206D+01 -0.103312D-01  0.146540D+01
               196           197           198           199           200 
      1   0.106430D+01  0.102223D+01  0.102028D+01 -0.163341D+01  0.131856D+01
      2   0.102223D+01  0.171348D+00  0.604831D+00  0.131856D+01 -0.101790D+01
      3   0.102028D+01  0.604831D+00  0.182865D+01 -0.916326D-01  0.103410D+01
               201           202           203           204           205 
      1  -0.916326D-01 -0.627226D-01 -0.140886D-01  0.313823D+00  0.131399D+01
      2   0.103410D+01 -0.140886D-01 -0.126382D+01  0.960845D+00 -0.295621D+00
      3  -0.172977D+01  0.313823D+00  0.960845D+00 -0.141045D+01  0.190989D+00
               206           207           208           209           210 
      1  -0.295621D+00  0.190989D+00 -0.373013D+01 -0.111659D+01 -0.168623D+01
      2   0.144146D+01 -0.141241D+01 -0.111659D+01 -0.381524D+01 -0.203255D+01
      3  -0.141241D+01  0.600486D+01 -0.168623D+01 -0.203255D+01 -0.197873D+01
               211           212           213           214           215 
      1  -0.171227D+01 -0.134217D+01 -0.984345D+00 -0.131827D+01 -0.856477D+00
      2  -0.134217D+01 -0.150966D+01 -0.303106D+00 -0.856477D+00  0.252950D-01
      3  -0.984345D+00 -0.303106D+00 -0.749344D+00 -0.101111D+01 -0.660621D+00
               216           217           218           219           220 
      1  -0.101111D+01  0.901495D+00 -0.686566D+00 -0.131023D+01 -0.477061D+00
      2  -0.660621D+00 -0.686566D+00  0.164252D+01  0.482811D+00 -0.877813D-01
      3  -0.187305D+01 -0.131023D+01  0.482811D+00  0.209459D+01 -0.239981D+00
               221           222           223           224           225 
      1  -0.877813D-01 -0.239981D+00 -0.117586D+01  0.224054D+00  0.117007D+01
      2   0.207289D+01  0.339284D+00  0.224054D+00 -0.160553D+01 -0.909944D+00
      3   0.339284D+00  0.661153D+00  0.117007D+01 -0.909944D+00 -0.583539D+01
               226           227           228           229           230 
      1   0.434666D+00  0.447729D+00  0.806989D+00  0.274141D+01 -0.122699D+01
      2   0.447729D+00 -0.107463D+01 -0.133295D+00 -0.122699D+01  0.605404D+01
      3   0.806989D+00 -0.133295D+00  0.183446D+00  0.949022D+00 -0.978098D+00
               231           232           233           234           235 
      1   0.949022D+00  0.179189D+01 -0.415392D+00  0.538793D+00  0.821634D+00
      2  -0.978098D+00 -0.415392D+00  0.629756D-01  0.492308D+00 -0.731552D+00
      3   0.132550D+01  0.538793D+00  0.492308D+00 -0.271213D+00  0.866035D-02
               236           237           238           239           240 
      1  -0.731552D+00  0.866035D-02 -0.124236D+01  0.894679D-01 -0.428853D+00
      2  -0.867305D-01 -0.382932D+00  0.894679D-01  0.739403D+00 -0.583664D+00
      3  -0.382932D+00  0.720469D+00 -0.428853D+00 -0.583664D+00 -0.372319D+00
               241           242           243           244           245 
      1  -0.201745D+01  0.268672D+00 -0.998750D+00 -0.374076D+01  0.112394D+01
      2   0.268672D+00 -0.108240D+01  0.123187D+01  0.112394D+01 -0.381519D+01
      3  -0.998750D+00  0.123187D+01 -0.746105D+01  0.169897D+01 -0.202899D+01
               246           247           248           249           250 
      1   0.169897D+01  0.170847D+01 -0.133780D+01 -0.979973D+00  0.132394D+01
      2  -0.202899D+01 -0.133780D+01  0.148476D+01  0.292912D+00 -0.852026D+00
      3  -0.198355D+01 -0.979973D+00  0.292912D+00  0.744084D+00 -0.101472D+01
               251           252           253           254           255 
      1  -0.852026D+00 -0.101472D+01  0.899622D+00  0.686225D+00  0.131333D+01
      2  -0.280391D-01  0.661011D+00  0.686225D+00  0.165811D+01  0.491246D+00
      3   0.661011D+00  0.187730D+01  0.131333D+01  0.491246D+00  0.210316D+01
               256           257           258           259           260 
      1   0.481936D+00 -0.752427D-01 -0.233893D+00  0.117527D+01  0.224540D+00
      2  -0.752427D-01 -0.206551D+01 -0.337166D+00  0.224540D+00  0.161000D+01
      3  -0.233893D+00 -0.337166D+00 -0.647654D+00  0.117125D+01  0.920623D+00
               261           262           263           264           265 
      1   0.117125D+01  0.470682D+01 -0.951681D+00 -0.193924D+01 -0.271038D+01
      2   0.920623D+00 -0.951681D+00  0.190714D+01  0.772705D+00  0.192244D+00
      3   0.583564D+01 -0.193924D+01  0.772705D+00  0.159732D+01  0.191047D+01
               266           267           268           269           270 
      1   0.192244D+00  0.191047D+01 -0.105945D+01  0.101999D+01  0.101231D+01
      2  -0.212763D+01  0.233839D-01  0.101999D+01 -0.157679D+00 -0.600253D+00
      3   0.233839D-01 -0.145277D+01  0.101231D+01 -0.600253D+00 -0.181302D+01
               271           272           273           274           275 
      1  -0.162031D+01 -0.132191D+01  0.886313D-01  0.527817D-01 -0.210537D-01
      2  -0.132191D+01 -0.102476D+01  0.103195D+01 -0.210537D-01  0.125255D+01
      3   0.886313D-01  0.103195D+01 -0.172782D+01  0.314392D+00 -0.951184D+00
               276           277           278           279           280 
      1   0.314392D+00 -0.131664D+01 -0.300792D+00  0.195853D+00 -0.107956D+01
      2  -0.951184D+00 -0.300792D+00 -0.144388D+01  0.140695D+01 -0.730315D+00
      3   0.139559D+01  0.195853D+00  0.140695D+01 -0.601822D+01 -0.105469D+01
               281           282           283           284           285 
      1  -0.730315D+00 -0.105469D+01 -0.156591D+01 -0.132014D+01 -0.584990D+00
      2  -0.389285D+00 -0.180929D+00 -0.132014D+01 -0.422055D+01 -0.212386D+01
      3  -0.180929D+00 -0.449970D+00 -0.584990D+00 -0.212386D+01 -0.228625D+01
               286           287           288           289           290 
      1  -0.166461D+01 -0.432011D+00 -0.965613D+00 -0.983458D+01  0.246378D+01
      2  -0.432011D+00 -0.157410D+01 -0.148599D+01  0.246378D+01 -0.164327D+01
      3  -0.965613D+00 -0.148599D+01 -0.220810D+01 -0.271023D+01  0.671213D+00
               291           292           293           294           295 
      1  -0.271023D+01  0.488963D+01 -0.261514D+01  0.158206D+01 -0.299907D+01
      2   0.671213D+00 -0.261514D+01  0.138170D+01 -0.128411D+01  0.837423D+00
      3  -0.192432D+01  0.158206D+01 -0.128411D+01  0.939466D+00 -0.253050D+01
               296           297           298           299           300 
      1   0.837423D+00 -0.253050D+01 -0.979998D+01 -0.248879D+01  0.269104D+01
      2  -0.763487D+00  0.643293D+00 -0.248879D+01 -0.166030D+01  0.673664D+00
      3   0.643293D+00 -0.156452D+01  0.269104D+01  0.673664D+00 -0.191265D+01
               301           302           303           304           305 
      1  -0.492026D+01 -0.264330D+01  0.158381D+01  0.297837D+01  0.841472D+00
      2  -0.264330D+01 -0.141223D+01  0.128961D+01  0.841472D+00  0.767072D+00
      3   0.158381D+01  0.128961D+01 -0.944607D+00 -0.251874D+01 -0.651395D+00
               306           307           308           309           310 
      1  -0.251874D+01 -0.110207D+01  0.735395D+00  0.105870D+01  0.157741D+01
      2  -0.651395D+00  0.735395D+00 -0.407078D+00 -0.188561D+00 -0.133778D+01
      3   0.155287D+01  0.105870D+01 -0.188561D+00 -0.461073D+00 -0.594558D+00
               311           312           313           314           315 
      1  -0.133778D+01 -0.594558D+00  0.166935D+01 -0.435948D+00 -0.973139D+00
      2   0.420934D+01  0.211916D+01 -0.435948D+00  0.156955D+01  0.148125D+01
      3   0.211916D+01  0.228382D+01 -0.973139D+00  0.148125D+01  0.220495D+01
               316           317           318           319           320 
      1   0.809764D+00  0.736132D+00 -0.599749D-02  0.125196D+01  0.994807D-01
      2   0.736132D+00 -0.802925D-01 -0.382129D+00  0.994807D-01 -0.733668D+00
      3  -0.599749D-02 -0.382129D+00  0.711956D+00 -0.433447D+00  0.579016D+00
               321           322           323           324           325 
      1  -0.433447D+00  0.201550D+01  0.272885D+00 -0.100127D+01  0.454422D+00
      2   0.579016D+00  0.272885D+00  0.108128D+01 -0.122380D+01 -0.435387D+00
      3   0.388466D+00 -0.100127D+01 -0.122380D+01  0.746374D+01 -0.810329D+00
               326           327           328           329           330 
      1  -0.435387D+00 -0.810329D+00 -0.273503D+01 -0.121860D+01  0.945422D+00
      2  -0.105129D+01 -0.138808D+00 -0.121860D+01 -0.606567D+01  0.991448D+00
      3  -0.138808D+00  0.188312D+00  0.945422D+00  0.991448D+00 -0.132855D+01
               331           332           333 
      1  -0.178519D+01 -0.418964D+00  0.537129D+00
      2  -0.418964D+00 -0.553567D-01 -0.491762D+00
      3   0.537129D+00 -0.491762D+00  0.278066D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.251540D+01 -0.271816D+00  0.232379D-01  0.498519D+00 -0.221461D+01
      2  -0.316130D+01 -0.708798D+01  0.775520D+01 -0.807070D+01 -0.864701D+01
      3  -0.868040D+01 -0.219878D+01  0.317663D+01  0.143843D+01  0.107501D+02
                 6             7             8             9            10 
      1  -0.443831D+01  0.766688D+00 -0.712748D+00 -0.479512D+00  0.252221D+01
      2  -0.641562D+01  0.259537D+01 -0.366166D+00  0.391148D+00  0.321495D+01
      3   0.931921D+01  0.371938D+01  0.989948D+01  0.348409D+01  0.871152D+01
                11            12            13            14            15 
      1   0.339739D+00 -0.415985D-01 -0.429113D+00 -0.222796D+01 -0.445120D+01
      2  -0.712413D+01  0.775205D+01 -0.813284D+01  0.856402D+01  0.641577D+01
      3  -0.205229D+01  0.323155D+01  0.158761D+01 -0.107349D+02 -0.930592D+01
                16            17            18            19            20 
      1  -0.774537D+00 -0.705489D+00 -0.469186D+00  0.390735D-01  0.697709D+01
      2   0.256572D+01  0.353017D+00 -0.373988D+00 -0.159187D+02  0.574683D+00
      3   0.377604D+01 -0.989556D+01 -0.346872D+01 -0.908895D+01  0.464462D+01
                21            22            23            24            25 
      1   0.106840D+01  0.165849D+02  0.150002D+02 -0.931899D+01  0.924383D+01
      2  -0.331270D+01 -0.129695D+01 -0.274200D+01 -0.604897D+00 -0.223190D+02
      3  -0.206966D+00  0.235174D+02  0.164551D+02 -0.850382D+01  0.212637D+01
                26            27            28            29            30 
      1   0.609878D+01 -0.126993D+02 -0.252854D+01 -0.739211D-02  0.117761D-01
      2  -0.801361D+01  0.211357D+02 -0.157011D-01  0.214357D+01  0.103193D+01
      3  -0.262494D+01  0.633733D+00 -0.231851D-02 -0.152343D+01  0.142692D+01
                31            32            33            34            35 
      1  -0.254059D-01  0.633576D+00 -0.587815D+00 -0.195303D-03 -0.143565D+01
      2   0.372614D-01 -0.130131D-02 -0.826893D-02  0.236004D+01  0.114838D-01
      3  -0.470133D+00  0.150419D-01  0.263212D-01  0.660105D+00  0.885410D-02
                36            37            38            39            40 
      1   0.195934D+00 -0.788161D+01  0.766613D+01  0.767179D+01  0.994205D+01
      2  -0.126208D-01 -0.177582D+02 -0.789083D+01  0.752178D+01  0.141233D+01
      3  -0.112226D-02 -0.226288D+02 -0.308511D+01  0.123726D+02  0.153288D+02
                41            42            43            44            45 
      1   0.947421D+01 -0.262034D+01  0.113778D+02  0.837603D+01 -0.718504D+01
      2  -0.624863D+00 -0.977722D+01 -0.158323D+02 -0.163641D+02  0.171688D+02
      3   0.140433D+02 -0.616901D+01  0.562952D+01 -0.501745D+01  0.279619D+01
                46            47            48            49            50 
      1   0.634875D+01 -0.418003D+01  0.319571D+01 -0.322383D+01 -0.740977D+01
      2  -0.413438D+01  0.540136D+01 -0.252444D+01  0.380987D+01  0.536440D+01
      3  -0.438690D+01  0.107188D+01 -0.917274D+01  0.748706D+01 -0.242776D+01
                51            52            53            54            55 
      1  -0.709738D+01  0.167570D+01 -0.347806D+01  0.122887D+01 -0.851999D+00
      2   0.348584D+01 -0.449696D+01  0.428158D+01 -0.119187D+01 -0.885142D+00
      3  -0.344883D+01 -0.136255D+02 -0.149452D+01 -0.590792D+01  0.680883D+01
                56            57            58            59            60 
      1   0.839110D+01 -0.766777D+01  0.999506D+01  0.217494D+01 -0.532464D+00
      2  -0.357819D+01  0.468364D+01 -0.330207D+01  0.824153D+00  0.817956D+00
      3  -0.589420D+01  0.185216D+01  0.159227D+00 -0.447037D+00 -0.940679D+01
                61            62            63            64            65 
      1  -0.709462D+01  0.719115D+00 -0.133814D+01  0.562014D+00  0.211265D+01
      2   0.408439D+00  0.106510D+01  0.451549D+00 -0.299937D+01  0.159459D+02
      3   0.587850D+01 -0.122985D+02  0.632349D+01  0.361789D+00 -0.287946D+02
                66            67            68            69            70 
      1   0.726169D+01 -0.365693D+01 -0.157741D+02  0.273077D+01  0.704431D+01
      2   0.110197D+02  0.904649D+01 -0.384623D+01 -0.488790D+01  0.126804D+01
      3  -0.117693D+02 -0.917201D+01  0.829548D+01  0.784815D+01 -0.677883D+01
                71            72            73            74            75 
      1   0.264921D+02  0.176095D+02  0.804024D-01 -0.704005D+01 -0.100201D+01
      2  -0.121490D+01  0.212468D+01  0.159890D+02  0.580393D+00 -0.324224D+01
      3   0.241886D+01 -0.270444D+01  0.901655D+01  0.471077D+01 -0.220259D+00
                76            77            78            79            80 
      1  -0.166204D+02  0.149125D+02 -0.929474D+01 -0.918887D+01  0.607398D+01
      2  -0.132483D+01  0.281012D+01  0.591098D+00 -0.222997D+02  0.799555D+01
      3   0.235318D+02 -0.163456D+02  0.847010D+01  0.213291D+01  0.262275D+01
                81            82            83            84            85 
      1  -0.126233D+02 -0.788420D+01 -0.768727D+01 -0.773003D+01 -0.100007D+02
      2  -0.211893D+02  0.176794D+02 -0.789702D+01  0.746756D+01  0.144672D+01
      3  -0.669009D+00  0.225328D+02 -0.302187D+01  0.123877D+02  0.154400D+02
                86            87            88            89            90 
      1   0.941835D+01 -0.267411D+01 -0.113697D+02  0.827442D+01 -0.713437D+01
      2   0.592664D+00  0.983812D+01 -0.158921D+02  0.163485D+02 -0.171411D+02
      3  -0.140185D+02  0.623842D+01  0.561776D+01  0.506040D+01 -0.279595D+01
                91            92            93            94            95 
      1   0.630438D+01  0.422244D+01 -0.312482D+01  0.326826D+01 -0.732644D+01
      2   0.413195D+01  0.546066D+01 -0.248976D+01  0.384467D+01 -0.531620D+01
      3   0.437215D+01  0.113812D+01 -0.919453D+01  0.750551D+01  0.246163D+01
                96            97            98            99           100 
      1  -0.711918D+01 -0.161152D+01 -0.350389D+01  0.120494D+01 -0.762400D+00
      2  -0.354902D+01 -0.445229D+01 -0.434790D+01  0.118288D+01  0.919106D+00
      3   0.337775D+01 -0.136144D+02  0.139670D+01  0.590784D+01 -0.676092D+01
               101           102           103           104           105 
      1  -0.843554D+01  0.760348D+01 -0.100351D+02  0.215645D+01 -0.450853D+00
      2  -0.360788D+01  0.470397D+01 -0.334215D+01 -0.839957D+00 -0.800805D+00
      3  -0.597423D+01  0.180089D+01  0.115874D+00  0.366294D+00  0.943895D+01
               106           107           108           109           110 
      1   0.703381D+01  0.796674D+00 -0.129940D+01  0.534717D+00 -0.211406D+01
      2   0.421528D+00 -0.106095D+01 -0.448416D+00  0.291854D+01  0.159277D+02
      3   0.580476D+01  0.123592D+02 -0.627127D+01 -0.235224D+00 -0.287486D+02
               111           112           113           114           115 
      1  -0.730711D+01  0.369624D+01 -0.158154D+02  0.264541D+01 -0.712669D+01
      2   0.109658D+02  0.906040D+01  0.388638D+01  0.494220D+01  0.123044D+01
      3  -0.117272D+02 -0.913633D+01 -0.842394D+01 -0.789217D+01 -0.675169D+01
               116           117           118           119           120 
      1   0.264609D+02  0.176329D+02 -0.449079D+01  0.106066D+01 -0.316425D+01
      2   0.130338D+01 -0.207102D+01  0.534182D+01 -0.109118D+01  0.550805D+01
      3  -0.244354D+01  0.269101D+01  0.121495D+02 -0.453183D+01  0.502241D+01
               121           122           123           124           125 
      1   0.157767D+01 -0.113176D+01  0.773589D+00 -0.449599D+01  0.233311D+01
      2  -0.196257D+01  0.145173D+01 -0.225743D+01  0.462046D+01 -0.676951D+00
      3  -0.390498D+01  0.715011D+01 -0.299819D+01  0.852145D+01 -0.500417D+01
               126           127           128           129           130 
      1  -0.611021D+01  0.149297D+01  0.939236D+00 -0.358491D+01  0.194037D+01
      2   0.718796D+01 -0.723715D+00 -0.116443D+01  0.357521D+01 -0.177575D+01
      3   0.517303D+01  0.460586D+01 -0.433289D+00 -0.872115D+00  0.860022D+00
               131           132           133           134           135 
      1   0.948741D+00 -0.411094D+01 -0.170389D+01  0.381452D+00  0.528840D+01
      2  -0.229785D+01  0.354974D+01  0.953271D+00  0.186964D+01 -0.483242D+01
      3  -0.562181D+01  0.764360D+00  0.125965D+01  0.396731D+01  0.155819D+00
               136           137           138           139           140 
      1   0.478839D+01 -0.351705D+01  0.526275D+01 -0.245532D+01  0.361517D+01
      2  -0.100255D+01  0.666715D+00  0.349175D+00  0.582535D+00 -0.737077D+00
      3  -0.123964D+02  0.368512D+01 -0.523610D+01  0.433904D+01 -0.699873D+01
               141           142           143           144           145 
      1  -0.397549D+01  0.455636D+01 -0.435833D+01  0.923892D+01 -0.400831D+00
      2   0.178069D+00 -0.231583D+01  0.525174D+00 -0.164940D+01 -0.392287D+00
      3   0.277820D+01 -0.858764D+01  0.483418D+01 -0.519970D+01  0.318727D+01
               146           147           148           149           150 
      1  -0.207293D+01 -0.193836D+01 -0.844839D+00 -0.358477D+01 -0.686268D+01
      2   0.811629D-01  0.907018D+00 -0.514627D+00  0.107689D+01  0.200915D+01
      3   0.371968D+01  0.949855D+00  0.512176D+01 -0.212169D+01 -0.398263D+00
               151           152           153           154           155 
      1  -0.413231D+00 -0.216361D+01 -0.665799D+01  0.474321D+01  0.353582D+01
      2  -0.145355D+01  0.319434D+00  0.206698D+01  0.100135D+01  0.679146D+00
      3   0.262089D+01  0.308869D+01 -0.272514D+00  0.123496D+02  0.374265D+01
               156           157           158           159           160 
      1  -0.523726D+01  0.246866D+01  0.364495D+01 -0.401549D+01 -0.451134D+01
      2   0.337417D+00  0.594410D+00  0.746774D+00 -0.192604D+00 -0.231521D+01
      3  -0.520512D+01  0.438840D+01  0.705856D+01 -0.279950D+01 -0.855269D+01
               161           162           163           164           165 
      1  -0.439404D+01  0.921119D+01 -0.422638D+00  0.208757D+01  0.197751D+01
      2  -0.553767D+00  0.167450D+01  0.395848D+00  0.921819D-01  0.926444D+00
      3  -0.487675D+01  0.518186D+01 -0.323540D+01  0.370447D+01  0.958168D+00
               166           167           168           169           170 
      1   0.873320D+00 -0.358992D+01 -0.685078D+01  0.443971D+00 -0.217847D+01
      2  -0.504271D+00 -0.109724D+01 -0.203333D+01 -0.145327D+01 -0.330705D+00
      3   0.509138D+01  0.214618D+01  0.393741D+00  0.264632D+01 -0.309109D+01
               171           172           173           174           175 
      1  -0.669068D+01 -0.445569D+01 -0.107300D+01  0.313191D+01 -0.158557D+01
      2  -0.210471D+01 -0.534188D+01 -0.112087D+01  0.550216D+01 -0.198825D+01
      3   0.256296D+00 -0.121346D+02 -0.458190D+01  0.501478D+01 -0.394779D+01
               176           177           178           179           180 
      1  -0.114641D+01  0.786638D+00  0.445424D+01  0.236594D+01 -0.606802D+01
      2  -0.147891D+01  0.229362D+01  0.462161D+01  0.719202D+00 -0.719165D+01
      3  -0.722306D+01  0.302725D+01  0.849681D+01  0.505391D+01 -0.517460D+01
               181           182           183           184           185 
      1   0.149505D+01 -0.931862D+00  0.358318D+01 -0.192821D+01  0.921677D+00
      2   0.733686D+00 -0.117061D+01  0.359800D+01 -0.178343D+01  0.227998D+01
      3  -0.461556D+01 -0.474837D+00 -0.866072D+00  0.820229D+00  0.562235D+01
               186           187           188           189           190 
      1  -0.408559D+01  0.169056D+01  0.395838D+00  0.526056D+01  0.476419D+01
      2  -0.354971D+01  0.952879D+00 -0.184998D+01  0.483851D+01 -0.331388D+01
      3  -0.762237D+00  0.126642D+01 -0.394308D+01 -0.158068D+00 -0.752411D+01
               191           192           193           194           195 
      1   0.423914D+01  0.332609D+01  0.442235D+01  0.582818D+01  0.208723D+01
      2  -0.109107D+01  0.668668D+00 -0.472092D+01  0.508607D+00 -0.422559D+00
      3  -0.610862D+01 -0.372836D+01 -0.656055D+01 -0.684366D+01 -0.369590D+01
               196           197           198           199           200 
      1   0.222499D+01  0.231981D+01  0.275981D+01  0.154355D+01 -0.182727D+01
      2   0.520686D+00  0.638644D+00  0.119445D+01 -0.330728D+00  0.244461D+01
      3  -0.211936D+01 -0.830026D+00 -0.307910D+01 -0.197540D+01  0.244963D+01
               201           202           203           204           205 
      1  -0.696607D+00  0.430437D+00 -0.459732D+00 -0.776628D+00 -0.226072D-01
      2  -0.578666D+01  0.149481D+01  0.181485D+01 -0.297920D+01 -0.168413D+01
      3  -0.277453D+01  0.139095D+01  0.134474D+01 -0.191641D+01 -0.151239D+00
               206           207           208           209           210 
      1   0.153400D+01  0.422809D+01 -0.313910D+01  0.321299D+01 -0.202484D+01
      2  -0.304198D+01  0.121398D+02 -0.863156D+01 -0.374132D+01 -0.336126D+01
      3  -0.247597D+01  0.254769D+01  0.126229D+02  0.352108D+01  0.585933D+01
               211           212           213           214           215 
      1   0.176980D+00 -0.818541D+00 -0.165134D+01 -0.245384D+01 -0.463703D+00
      2  -0.193841D+01 -0.112993D+01 -0.118310D+01 -0.263819D+01 -0.532931D+00
      3   0.307320D+01  0.207158D+01  0.143681D+01  0.232297D+01  0.145219D+01
               216           217           218           219           220 
      1  -0.241698D+01 -0.241058D+01 -0.386023D+00  0.529551D+01 -0.351513D+00
      2  -0.188706D+01  0.193151D+01 -0.155471D+01 -0.164078D+01  0.731507D+00
      3   0.313464D+01 -0.238776D+01  0.105232D+01  0.311818D+01 -0.456009D-01
               221           222           223           224           225 
      1   0.612786D+00  0.285207D+01  0.237468D+01  0.734514D-01 -0.123242D+02
      2  -0.200891D+01 -0.134150D+01 -0.273914D+01  0.727369D+00  0.200265D+01
      3   0.290918D+01  0.138479D+01  0.235262D+01 -0.115114D+01 -0.264874D+01
               226           227           228           229           230 
      1   0.378795D+00 -0.872176D+00  0.739562D+00  0.223782D+01 -0.105977D+02
      2   0.139222D+01  0.715913D+00  0.150539D+01  0.300707D+01  0.589457D+00
      3   0.738575D+00  0.372535D+00 -0.455120D+00  0.120870D+01  0.128445D+02
               231           232           233           234           235 
      1  -0.211874D-02  0.217803D+01 -0.222831D+01  0.866697D-01 -0.148807D+01
      2  -0.986730D+00  0.187391D+01 -0.186736D+01  0.894016D+00  0.161526D+01
      3  -0.153372D+01  0.365744D+00  0.204095D+01  0.562803D+00  0.175591D+01
               236           237           238           239           240 
      1   0.648594D+00 -0.184235D+01  0.774800D+00  0.128137D+00  0.166831D+01
      2   0.117078D+01 -0.259332D+01 -0.360866D+00  0.158687D+01  0.798156D+00
      3  -0.701854D+00 -0.422262D+00 -0.285084D-02  0.576877D+00 -0.169711D+01
               241           242           243           244           245 
      1   0.162924D+01  0.679545D+00  0.732202D+01 -0.315173D+01 -0.319595D+01
      2  -0.168236D+01 -0.283129D+01  0.146522D+02  0.862685D+01 -0.373413D+01
      3  -0.249135D+01 -0.147718D+01  0.147429D+01 -0.126319D+02  0.348958D+01
               246           247           248           249           250 
      1   0.205316D+01 -0.175707D+00 -0.836143D+00 -0.165010D+01  0.246749D+01
      2  -0.335688D+01 -0.191301D+01  0.110507D+01  0.116700D+01 -0.263029D+01
      3   0.586621D+01  0.303507D+01 -0.205592D+01 -0.142026D+01  0.233023D+01
               251           252           253           254           255 
      1  -0.456939D+00 -0.242797D+01 -0.241362D+01  0.379413D+00 -0.531487D+01
      2   0.530726D+00  0.188205D+01 -0.194676D+01 -0.157040D+01 -0.166478D+01
      3  -0.145671D+01 -0.314436D+01  0.239659D+01  0.107573D+01  0.313280D+01
               256           257           258           259           260 
      1   0.337305D+00  0.591832D+00  0.281188D+01 -0.237645D+01  0.528120D-01
      2   0.716003D+00  0.200778D+01  0.134244D+01 -0.274849D+01 -0.741216D+00
      3  -0.294818D-01 -0.289963D+01 -0.137308D+01  0.235550D+01  0.116318D+01
               261           262           263           264           265 
      1  -0.123139D+02  0.478327D+01 -0.424477D+01 -0.331298D+01 -0.440435D+01
      2  -0.204927D+01  0.336229D+01 -0.110844D+01  0.660500D+00 -0.474071D+01
      3   0.266193D+01  0.758832D+01 -0.613972D+01 -0.372383D+01 -0.657697D+01
               266           267           268           269           270 
      1   0.581546D+01  0.205092D+01 -0.221292D+01  0.229716D+01  0.273397D+01
      2  -0.484596D+00  0.429539D+00  0.531767D+00 -0.628290D+00 -0.118034D+01
      3   0.684440D+01  0.365969D+01 -0.209894D+01  0.803378D+00  0.305830D+01
               271           272           273           274           275 
      1   0.152405D+01  0.181491D+01  0.718885D+00 -0.430685D+00 -0.443022D+00
      2   0.341990D+00  0.244945D+01 -0.578369D+01  0.149575D+01 -0.179165D+01
      3   0.197123D+01  0.244778D+01 -0.276381D+01  0.139568D+01 -0.131880D+01
               276           277           278           279           280 
      1  -0.778362D+00  0.211779D-01  0.153303D+01  0.428319D+01  0.747032D+00
      2   0.293448D+01 -0.167181D+01  0.303046D+01 -0.121633D+02  0.405123D+01
      3   0.189832D+01 -0.148923D+00  0.247624D+01 -0.253040D+01 -0.287598D+01
               281           282           283           284           285 
      1   0.555594D-01  0.130234D+00  0.135481D+01  0.537685D+01  0.650037D+00
      2  -0.560225D+00  0.374579D+00 -0.534626D+00  0.632200D+01  0.830843D+01
      3  -0.859365D+00 -0.502483D+00 -0.134295D+01 -0.163078D+02 -0.768812D+01
               286           287           288           289           290 
      1   0.141403D+00  0.308703D+01  0.118355D+01 -0.128751D+01  0.157059D+01
      2  -0.369765D+00  0.519227D+01  0.641485D+01 -0.134099D+01 -0.275235D+00
      3  -0.116234D+01 -0.589490D+01 -0.588636D+01  0.436289D+01 -0.646287D+01
               291           292           293           294           295 
      1  -0.678099D-01  0.167847D+01 -0.140605D+01 -0.958055D-01 -0.568479D-01
      2   0.585669D+01  0.439062D+01  0.116733D+01 -0.127399D+01  0.249587D+01
      3   0.204259D+01 -0.307486D+01  0.469470D+01 -0.341398D+01 -0.231135D+00
               296           297           298           299           300 
      1   0.133895D+01  0.605378D-01 -0.128414D+01 -0.156526D+01  0.423473D-01
      2  -0.156112D+01  0.280840D+01  0.132018D+01 -0.270061D+00  0.585033D+01
      3  -0.314396D+01  0.100946D+01 -0.435388D+01 -0.647672D+01  0.202819D+01
               301           302           303           304           305 
      1  -0.170153D+01 -0.141419D+01 -0.106305D+00  0.480701D-01  0.132713D+01
      2   0.441135D+01 -0.115051D+01  0.130151D+01  0.249346D+01  0.157540D+01
      3  -0.309590D+01 -0.475352D+01  0.341869D+01 -0.236663D+00  0.313689D+01
               306           307           308           309           310 
      1   0.685650D-01  0.760855D+00 -0.834910D-01 -0.135521D+00 -0.137889D+01
      2  -0.278459D+01 -0.404016D+01 -0.536871D+00  0.420360D+00 -0.508727D+00
      3  -0.101272D+01  0.287418D+01 -0.944340D+00 -0.544070D+00 -0.143791D+01
               311           312           313           314           315 
      1   0.537656D+01  0.666289D+00 -0.156818D+00  0.309740D+01  0.119704D+01
      2  -0.629267D+01 -0.830419D+01 -0.334554D+00 -0.517551D+01 -0.640890D+01
      3   0.163023D+02  0.768096D+01 -0.119521D+01  0.589187D+01  0.588175D+01
               316           317           318           319           320 
      1  -0.147555D+01 -0.659325D+00  0.183845D+01 -0.788767D+00  0.132773D+00
      2  -0.161371D+01  0.115618D+01 -0.256897D+01 -0.367652D+00 -0.157951D+01
      3  -0.176010D+01 -0.714765D+00 -0.414796D+00 -0.217297D-01 -0.571868D+00
               321           322           323           324           325 
      1   0.169506D+01 -0.163309D+01  0.669160D+00  0.738351D+01  0.400699D+00
      2  -0.831436D+00 -0.168303D+01  0.280466D+01 -0.146302D+02 -0.141696D+01
      3   0.169947D+01 -0.249953D+01  0.146031D+01 -0.144349D+01 -0.731267D+00
               326           327           328           329           330 
      1   0.911645D+00 -0.742560D+00 -0.222034D+01 -0.105954D+02  0.125327D-01
      2   0.713823D+00  0.150013D+01  0.300156D+01 -0.632659D+00  0.996409D+00
      3   0.420352D+00 -0.468009D+00  0.122725D+01 -0.128386D+02  0.156127D+01
               331           332           333 
      1  -0.216985D+01 -0.222160D+01  0.869124D-01
      2   0.185506D+01  0.186752D+01 -0.900060D+00
      3   0.361512D+00 -0.201591D+01 -0.565746D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.246409D+02  0.265830D+02 -0.227759D+02  0.325376D+02 -0.360549D+01
      2   0.159191D+02 -0.153769D+02  0.112855D+02 -0.188435D+02  0.357219D+01
      3   0.872180D+01 -0.112060D+02  0.114904D+02 -0.136941D+02  0.333025D-01
      4   0.237599D+02 -0.668819D+01  0.435581D+01 -0.896631D+01 -0.114350D+02
      5  -0.222474D+02  0.578613D+01 -0.791455D+01  0.102613D+02 -0.189866D+02
      6   0.767757D+01 -0.580672D+00 -0.756514D+00 -0.465131D+01 -0.498220D+01
                 6             7             8             9            10 
      1   0.782725D+01 -0.152791D+02  0.519737D+01 -0.440326D+01 -0.242631D+02
      2  -0.478885D+01  0.678609D+01 -0.333785D+01  0.306548D+00  0.155914D+02
      3  -0.303840D+01  0.849303D+01 -0.185952D+01  0.409671D+01  0.867174D+01
      4  -0.164083D+02  0.455882D+01 -0.135022D+02 -0.355412D+01 -0.238785D+02
      5  -0.573925D+01 -0.803999D+01 -0.364815D+01  0.370300D+01  0.220957D+02
      6  -0.623268D+01  0.796634D-01 -0.564680D+01 -0.158736D+01  0.770727D+01
                11            12            13            14            15 
      1  -0.266181D+02  0.227027D+02 -0.326173D+02 -0.405403D+01  0.770543D+01
      2   0.153548D+02 -0.112019D+02  0.188472D+02  0.383681D+01 -0.467901D+01
      3   0.112634D+02 -0.115008D+02  0.137701D+02  0.217222D+00 -0.302642D+01
      4  -0.705516D+01  0.435983D+01 -0.940928D+01  0.113525D+02  0.164822D+02
      5   0.571049D+01 -0.783255D+01  0.101710D+02  0.190804D+02  0.575648D+01
      6   0.660792D+00  0.781695D+00  0.475991D+01 -0.487787D+01 -0.618313D+01
                16            17            18            19            20 
      1   0.151878D+02  0.506393D+01 -0.433648D+01  0.177393D+02  0.137118D+02
      2  -0.669859D+01 -0.322152D+01  0.292907D+00 -0.181030D+02 -0.101190D+02
      3  -0.848925D+01 -0.184241D+01  0.404357D+01  0.363699D+00 -0.359279D+01
      4   0.452268D+01  0.135573D+02  0.355496D+01  0.519135D+01 -0.102790D+01
      5  -0.798392D+01  0.366200D+01 -0.372687D+01 -0.119331D+02 -0.327768D+01
      6  -0.548498D-01 -0.562594D+01 -0.158896D+01 -0.780182D+01  0.141213D+01
                21            22            23            24            25 
      1  -0.129712D+02  0.614900D+01  0.338440D+01  0.170351D+01 -0.574010D+01
      2   0.120013D+02 -0.482097D+01 -0.100569D+02  0.471170D+00  0.580931D+01
      3   0.969914D+00 -0.132803D+01  0.667246D+01 -0.217468D+01 -0.692135D-01
      4  -0.104062D+01 -0.899846D+00 -0.125399D+02 -0.138065D+01 -0.859491D+00
      5   0.767558D+01 -0.175099D+01 -0.262102D+01  0.169567D+01  0.560051D+01
      6   0.166902D+01  0.251145D+00  0.500127D+01  0.305189D+01  0.118664D+00
                26            27            28            29            30 
      1  -0.510400D+00  0.120231D+02 -0.115179D+02 -0.574104D-02  0.211253D-01
      2  -0.662306D+00  0.473241D+01  0.233613D+01 -0.416941D-03 -0.248629D-01
      3   0.117271D+01 -0.167555D+02  0.918181D+01  0.615798D-02  0.373758D-02
      4   0.445024D+00 -0.167051D+01 -0.624018D-03 -0.596397D+01 -0.477845D+01
      5  -0.525098D+00  0.810765D+01  0.185374D-01 -0.285185D+01 -0.193840D+01
      6   0.280371D+01  0.310127D+01 -0.259029D+01 -0.431665D-02  0.613288D-02
                31            32            33            34            35 
      1  -0.147291D-01  0.206642D+01 -0.491965D+01  0.172997D-01 -0.795141D+01
      2   0.135633D-01 -0.106469D+02  0.636885D+01 -0.225910D-01  0.872313D+01
      3   0.116580D-02  0.858050D+01 -0.144920D+01  0.529128D-02 -0.771718D+00
      4  -0.739285D+01  0.466028D-02 -0.239433D-01 -0.829159D+01 -0.151585D-01
      5  -0.253710D+01 -0.668808D-02 -0.740452D-02  0.540282D+01 -0.416127D-02
      6  -0.513175D-02  0.343153D+01 -0.151741D+01  0.813263D-02  0.413682D+01
                36            37            38            39            40 
      1  -0.550838D+00 -0.839049D+01  0.168409D+01  0.109408D+02  0.562783D+00
      2  -0.570478D+00  0.127010D+02 -0.392520D+01 -0.816760D+01  0.903461D+00
      3   0.112132D+01 -0.431051D+01  0.224111D+01 -0.277325D+01 -0.146624D+01
      4  -0.511364D-02  0.126158D+02  0.684351D+01 -0.879108D+01  0.108721D+02
      5   0.139862D-01  0.300321D+01 -0.119373D+02  0.210495D+01 -0.115601D+02
      6  -0.894930D+00 -0.415441D+01 -0.564232D+01  0.670937D+01 -0.463554D+01
                41            42            43            44            45 
      1  -0.664917D+01 -0.562821D+01  0.918474D+01 -0.568747D+01  0.674642D+01
      2   0.570694D+01 -0.475169D+01 -0.492290D+01 -0.104932D+01  0.303514D+01
      3   0.942236D+00  0.103799D+02 -0.426184D+01  0.673679D+01 -0.978156D+01
      4   0.976286D+01 -0.101682D+02 -0.307221D+01 -0.623409D+01  0.287282D+01
      5  -0.505771D+01  0.371164D+01  0.110604D+01  0.107470D+01  0.195967D+01
      6  -0.340517D+01  0.556459D+00  0.441600D+01 -0.474813D+00  0.714114D+01
                46            47            48            49            50 
      1  -0.812163D+01  0.126658D+01 -0.139710D+02  0.243892D+01 -0.115698D+01
      2   0.184817D+01 -0.197613D+01  0.182671D+02 -0.746424D+01 -0.432817D-01
      3   0.627346D+01  0.709549D+00 -0.429608D+01  0.502532D+01  0.120026D+01
      4  -0.140897D+02 -0.881989D+01  0.907932D+01 -0.162308D+02 -0.123112D+02
      5  -0.335599D+01  0.138033D+02 -0.904722D+01  0.145604D+02  0.135893D+02
      6   0.215437D+01  0.158061D+02 -0.100059D+02  0.162850D+02  0.130876D+02
                51            52            53            54            55 
      1   0.639405D+01 -0.165940D+02  0.740169D+01 -0.939120D+01  0.409101D+01
      2   0.781958D+01  0.207346D+02  0.513433D+01  0.453083D+01 -0.418811D+01
      3  -0.142136D+02 -0.414056D+01 -0.125360D+02  0.486037D+01  0.971013D-01
      4   0.216657D+02  0.134461D+02  0.256183D+02 -0.117783D+02  0.315437D+01
      5  -0.196810D+01 -0.135677D+02 -0.447514D+01  0.139443D+01  0.148751D+01
      6  -0.554990D+01 -0.128994D+02 -0.578479D+01  0.241715D+01  0.495356D+01
                56            57            58            59            60 
      1   0.490289D+01  0.110112D+02  0.229929D+01  0.183676D+02  0.384187D+01
      2  -0.767646D+01 -0.208595D+02 -0.778285D+00 -0.275115D+02 -0.154341D+02
      3   0.277356D+01  0.984825D+01 -0.152101D+01  0.914394D+01  0.115922D+02
      4  -0.941713D+01  0.173126D+00 -0.305115D+01 -0.125782D+02 -0.213620D+02
      5  -0.336951D+01 -0.105776D+01 -0.353198D+01 -0.958660D+01 -0.444974D+01
      6  -0.189437D+02  0.371690D+01 -0.181450D+02 -0.211480D+02 -0.117552D+02
                61            62            63            64            65 
      1   0.142010D+02  0.873997D+01  0.106825D+02  0.226350D+01 -0.553371D+01
      2  -0.224594D+02 -0.197184D+02 -0.148211D+02 -0.118998D+01  0.539098D+01
      3   0.825835D+01  0.109784D+02  0.413860D+01 -0.107353D+01  0.142730D+00
      4   0.198727D+01 -0.251635D+02  0.137405D+01  0.836552D+01  0.142416D+01
      5  -0.270513D+00 -0.403481D+01 -0.129725D+01  0.294992D+01 -0.317242D+01
      6   0.431918D+01 -0.173507D+02 -0.118173D+01 -0.708526D+01  0.867544D+01
                66            67            68            69            70 
      1  -0.117001D+01 -0.539331D+01 -0.114537D+02 -0.501901D+01 -0.228455D+01
      2   0.114014D+02  0.187881D+01  0.137828D+02  0.794319D+01  0.102119D+02
      3  -0.102314D+02  0.351450D+01 -0.232912D+01 -0.292418D+01 -0.792734D+01
      4  -0.298705D+01 -0.271486D+01  0.168053D+02  0.125064D+02 -0.307148D+01
      5  -0.390777D+01 -0.197926D+01  0.179899D+01  0.278111D+01 -0.260933D+01
      6   0.427031D-02  0.941853D+01  0.124746D+02  0.572721D+01 -0.150928D+01
                71            72            73            74            75 
      1  -0.214230D+01  0.132753D+01  0.178198D+02 -0.136580D+02  0.129284D+02
      2   0.173629D+01  0.702965D+01 -0.181483D+02  0.101006D+02 -0.120042D+02
      3   0.406016D+00 -0.835717D+01  0.328572D+00  0.355741D+01 -0.924242D+00
      4   0.640702D+01 -0.898649D+00 -0.502644D+01 -0.120021D+01 -0.959952D+00
      5   0.187352D+01 -0.558583D+01  0.119678D+02 -0.326342D+01  0.771884D+01
      6   0.285767D+01 -0.523077D+01 -0.774135D+01 -0.147257D+01 -0.167229D+01
                76            77            78            79            80 
      1  -0.607833D+01  0.317372D+01  0.171960D+01  0.572821D+01 -0.526128D+00
      2   0.477540D+01 -0.989566D+01  0.383614D+00 -0.581537D+01 -0.724864D+00
      3   0.130292D+01  0.672194D+01 -0.210322D+01  0.871687D-01  0.125099D+01
      4  -0.102976D+01  0.125779D+02  0.139758D+01 -0.823660D+00 -0.431521D+00
      5  -0.171515D+01  0.259752D+01 -0.163951D+01  0.562081D+01  0.564193D+00
      6  -0.312882D+00  0.497086D+01  0.303893D+01 -0.118461D+00  0.278986D+01
                81            82            83            84            85 
      1   0.120769D+02 -0.824588D+01 -0.167301D+01 -0.109028D+02 -0.581271D+00
      2   0.470479D+01  0.125907D+02  0.398892D+01  0.818449D+01 -0.797110D+00
      3  -0.167817D+02 -0.434477D+01 -0.231591D+01  0.271827D+01  0.137838D+01
      4   0.171911D+01 -0.127441D+02  0.684787D+01 -0.891481D+01  0.108740D+02
      5  -0.809098D+01 -0.293131D+01 -0.120047D+02  0.207943D+01 -0.116139D+02
      6   0.313231D+01 -0.419466D+01  0.564773D+01 -0.673366D+01  0.462243D+01
                86            87            88            89            90 
      1  -0.657333D+01 -0.576795D+01 -0.918346D+01 -0.580596D+01  0.670994D+01
      2   0.567825D+01 -0.463402D+01  0.494512D+01 -0.950424D+00  0.298029D+01
      3   0.895078D+00  0.104020D+02  0.423835D+01  0.675638D+01 -0.969024D+01
      4  -0.978759D+01  0.101483D+02 -0.315202D+01  0.621234D+01 -0.285953D+01
      5   0.497340D+01 -0.374087D+01  0.106411D+01 -0.109674D+01 -0.196683D+01
      6  -0.335905D+01  0.482507D+00 -0.443859D+01 -0.519603D+00  0.712248D+01
                91            92            93            94            95 
      1  -0.823392D+01 -0.130711D+01  0.138790D+02 -0.239439D+01 -0.128805D+01
      2   0.192524D+01  0.201327D+01 -0.182658D+02  0.740824D+01  0.432340D-01
      3   0.630868D+01 -0.706154D+00  0.438684D+01 -0.501385D+01  0.124482D+01
      4   0.141246D+02 -0.885760D+01  0.932259D+01 -0.162904D+02  0.123181D+02
      5   0.323396D+01  0.139541D+02 -0.903915D+01  0.147034D+02 -0.135183D+02
      6   0.230377D+01 -0.158308D+02  0.993932D+01 -0.162935D+02  0.129257D+02
                96            97            98            99           100 
      1   0.664175D+01  0.164721D+02  0.769449D+01 -0.943143D+01  0.416106D+01
      2   0.757959D+01 -0.206749D+02  0.483789D+01  0.461886D+01 -0.427647D+01
      3  -0.142213D+02  0.420281D+01 -0.125324D+02  0.481257D+01  0.115411D+00
      4  -0.216515D+02  0.137107D+02 -0.255620D+02  0.116461D+02 -0.305290D+01
      5   0.193824D+01 -0.135681D+02  0.440495D+01 -0.141745D+01 -0.147584D+01
      6  -0.546600D+01  0.128020D+02 -0.568133D+01  0.242206D+01  0.476567D+01
               101           102           103           104           105 
      1  -0.482495D+01 -0.110460D+02 -0.226172D+01  0.181611D+02  0.359366D+01
      2   0.757046D+01  0.209629D+02  0.715344D+00 -0.271849D+02 -0.150857D+02
      3  -0.274551D+01 -0.991689D+01  0.154637D+01  0.902389D+01  0.114920D+02
      4  -0.957197D+01 -0.772367D-01 -0.313076D+01  0.125649D+02  0.214495D+02
      5  -0.350447D+01 -0.109266D+01 -0.365539D+01  0.963492D+01  0.452475D+01
      6   0.190871D+02 -0.357246D+01  0.182561D+02 -0.209007D+02 -0.118228D+02
               106           107           108           109           110 
      1  -0.142686D+02  0.846331D+01  0.107039D+02  0.226636D+01  0.555990D+01
      2   0.225868D+02 -0.193603D+02 -0.148945D+02 -0.123055D+01 -0.539341D+01
      3  -0.831821D+01  0.108970D+02  0.419062D+01 -0.103581D+01 -0.166485D+00
      4   0.170293D+01  0.253219D+02 -0.116559D+01 -0.833939D+01  0.149976D+01
      5  -0.292791D+00  0.415571D+01  0.132693D+01 -0.292253D+01 -0.313606D+01
      6  -0.414007D+01 -0.174508D+02 -0.126390D+01 -0.700312D+01 -0.876475D+01
               111           112           113           114           115 
      1   0.120388D+01  0.544770D+01 -0.112363D+02 -0.492046D+01  0.231773D+01
      2  -0.114373D+02 -0.192301D+01  0.135382D+02  0.776138D+01 -0.102374D+02
      3   0.102334D+02 -0.352468D+01 -0.230189D+01 -0.284092D+01  0.791972D+01
      4  -0.286671D+01 -0.265951D+01 -0.168737D+02 -0.125526D+02 -0.298116D+01
      5  -0.387228D+01 -0.194810D+01 -0.184998D+01 -0.282074D+01 -0.258734D+01
      6  -0.721494D-01 -0.949003D+01  0.123976D+02  0.575202D+01  0.145768D+01
               116           117           118           119           120 
      1  -0.209679D+01  0.131882D+01  0.322677D+02 -0.228531D+01  0.105864D+02
      2   0.163276D+01  0.708326D+01 -0.182709D+02  0.510223D+01 -0.740106D+01
      3   0.464029D+00 -0.840208D+01 -0.139968D+02 -0.281693D+01 -0.318538D+01
      4  -0.645333D+01  0.839141D+00  0.165824D+02  0.746254D+01  0.329893D+01
      5  -0.190309D+01  0.559083D+01  0.107184D+02 -0.177112D+01  0.955950D+01
      6   0.289878D+01 -0.517737D+01  0.513950D+01 -0.689443D+00  0.543227D+01
               121           122           123           124           125 
      1  -0.850804D+01  0.632382D+01 -0.427305D+01  0.174737D+02 -0.307922D+01
      2   0.751800D+01 -0.573293D+01  0.267068D+01 -0.129027D+02  0.465517D+01
      3   0.990036D+00 -0.590887D+00  0.160236D+01 -0.457103D+01 -0.157595D+01
      4   0.377453D+01 -0.282609D+00  0.182853D+00  0.762679D+01  0.219857D+01
      5  -0.334975D+01  0.252447D+01 -0.227698D+01  0.136972D+02  0.135449D+00
      6  -0.168464D+01  0.620015D+00  0.331091D+00  0.796281D+01  0.201325D+01
               126           127           128           129           130 
      1   0.953563D+01  0.146987D+02  0.703841D+01 -0.384797D+01  0.230559D+01
      2  -0.797434D+01  0.148563D+00  0.474095D+01 -0.962020D+00  0.111684D+02
      3  -0.156129D+01 -0.148473D+02 -0.117794D+02  0.480999D+01 -0.134740D+02
      4   0.582040D+01  0.297149D+02  0.241930D+02 -0.128953D+02  0.265556D+02
      5   0.125562D+02 -0.115584D+02 -0.960421D+01  0.102011D+02 -0.907700D+01
      6   0.791365D+01 -0.113249D+02 -0.972956D+01  0.847395D+01 -0.122496D+02
               131           132           133           134           135 
      1  -0.631381D+01  0.135528D+01 -0.244900D+01  0.151065D+01  0.379237D-01
      2   0.242021D+02 -0.756966D+01 -0.359476D+01 -0.847475D+01  0.247319D+01
      3  -0.178883D+02  0.621438D+01  0.604376D+01  0.696410D+01 -0.251112D+01
      4   0.334398D+02 -0.149635D+02 -0.203393D+02 -0.209046D+02  0.175693D+02
      5  -0.116313D+02  0.803640D+01  0.152823D+02  0.126255D+02 -0.149078D+02
      6  -0.173607D+02  0.127806D+02  0.149965D+02  0.172667D+02 -0.175784D+02
               136           137           138           139           140 
      1  -0.546813D+01  0.864387D+01 -0.377664D+01  0.500091D+01 -0.162549D+02
      2   0.836845D+01 -0.156109D+02  0.656108D+01 -0.829102D+01  0.269870D+02
      3  -0.290031D+01  0.696704D+01 -0.278443D+01  0.329011D+01 -0.107321D+02
      4  -0.147439D+02  0.857168D+01 -0.610566D+01  0.645048D+01 -0.479627D+01
      5   0.152259D+01 -0.367277D+00  0.146456D+01 -0.396315D+00  0.966731D+00
      6  -0.759076D+01  0.684118D+01 -0.756130D+01  0.458259D+01 -0.720960D+01
               141           142           143           144           145 
      1   0.462392D+01 -0.674737D+01  0.983144D+01 -0.884741D+01 -0.202546D+01
      2  -0.632669D+01  0.740883D+01 -0.139127D+02  0.977823D+01  0.853961D+01
      3   0.170276D+01 -0.661465D+00  0.408124D+01 -0.930820D+00 -0.651415D+01
      4   0.386016D+01 -0.872351D+01  0.613833D+01 -0.510068D+01  0.122085D+02
      5   0.425490D+00  0.178180D+01  0.536827D+00 -0.246093D+00  0.335286D+01
      6   0.837413D+01 -0.724184D+01  0.143845D+02 -0.154592D+02  0.568378D+01
               146           147           148           149           150 
      1  -0.261268D+01 -0.183624D+01 -0.416540D+01 -0.336649D+02 -0.116239D+02
      2   0.115923D+02  0.481320D+01  0.114148D+02  0.623460D+02  0.191929D+02
      3  -0.897965D+01 -0.297696D+01 -0.724941D+01 -0.286812D+02 -0.756897D+01
      4   0.196025D+02  0.668232D+01  0.134961D+02  0.267839D+02  0.969065D+01
      5   0.541965D+01  0.461578D+01  0.312093D+01  0.915158D+01  0.509605D+01
      6   0.810638D+01  0.461877D+01  0.730800D+01  0.272088D+02  0.170983D+02
               151           152           153           154           155 
      1  -0.330523D+01 -0.180822D+02 -0.126626D+02 -0.555005D+01 -0.869712D+01
      2   0.636466D+01  0.275625D+02  0.158150D+02  0.844249D+01  0.156698D+02
      3  -0.305943D+01 -0.948031D+01 -0.315235D+01 -0.289243D+01 -0.697270D+01
      4   0.704895D+01  0.160162D+02  0.918737D+01  0.146273D+02  0.855904D+01
      5   0.447467D+01  0.828729D+01  0.701917D+01 -0.147531D+01 -0.340682D+00
      6   0.610059D+01  0.265517D+02  0.199667D+02 -0.752704D+01 -0.684102D+01
               156           157           158           159           160 
      1   0.380147D+01 -0.503424D+01 -0.164228D+02  0.467372D+01  0.677584D+01
      2  -0.659272D+01  0.831161D+01  0.272655D+02 -0.640764D+01 -0.744011D+01
      3   0.279125D+01 -0.327738D+01 -0.108427D+02  0.173391D+01  0.664271D+00
      4  -0.603130D+01  0.646753D+01  0.471734D+01 -0.384198D+01 -0.862533D+01
      5   0.143151D+01 -0.376244D+00 -0.935563D+00 -0.461189D+00  0.174873D+01
      6   0.750693D+01 -0.458504D+01 -0.727057D+01  0.842085D+01  0.716225D+01
               161           162           163           164           165 
      1   0.992652D+01 -0.887616D+01 -0.195226D+01  0.259065D+01  0.183968D+01
      2  -0.140495D+02  0.984668D+01  0.851995D+01 -0.116446D+02 -0.485618D+01
      3   0.412296D+01 -0.970520D+00 -0.656769D+01  0.905393D+01  0.301649D+01
      4  -0.608503D+01  0.500301D+01 -0.124039D+02  0.197210D+02  0.678442D+01
      5  -0.593105D+00  0.307792D+00 -0.343550D+01  0.550295D+01  0.468379D+01
      6   0.144216D+02 -0.154060D+02  0.576692D+01 -0.821558D+01 -0.471425D+01
               166           167           168           169           170 
      1   0.417460D+01 -0.333078D+02 -0.115469D+02  0.332957D+01 -0.179615D+02
      2  -0.114859D+02  0.617779D+02  0.190877D+02 -0.642769D+01  0.274062D+02
      3   0.731130D+01 -0.284701D+02 -0.754072D+01  0.309812D+01 -0.944473D+01
      4   0.136001D+02 -0.269591D+02 -0.980671D+01  0.718395D+01 -0.162084D+02
      5   0.318716D+01 -0.924165D+01 -0.516272D+01  0.455725D+01 -0.840892D+01
      6  -0.740642D+01  0.271413D+02  0.171017D+02 -0.623209D+01  0.265613D+02
               171           172           173           174           175 
      1  -0.126231D+02  0.323611D+02  0.237343D+01 -0.105797D+02  0.861878D+01
      2   0.157479D+02 -0.183668D+02 -0.512454D+01  0.741363D+01 -0.756131D+01
      3  -0.312476D+01 -0.139943D+02  0.275111D+01  0.316604D+01 -0.105747D+01
      4  -0.934555D+01 -0.163946D+02  0.741732D+01  0.320623D+01  0.375708D+01
      5  -0.714413D+01 -0.106963D+02 -0.182377D+01  0.955327D+01 -0.339422D+01
      6   0.200489D+02  0.507319D+01  0.708213D+00 -0.538155D+01  0.169994D+01
               176           177           178           179           180 
      1   0.638923D+01 -0.431639D+01 -0.174921D+02 -0.314899D+01  0.956225D+01
      2  -0.580836D+01  0.269383D+01  0.129362D+02  0.469574D+01 -0.800981D+01
      3  -0.580861D+00  0.162256D+01  0.455589D+01 -0.154675D+01 -0.155244D+01
      4   0.399306D+00 -0.189101D+00  0.747140D+01 -0.218235D+01 -0.571879D+01
      5  -0.254904D+01  0.232194D+01  0.136973D+02 -0.649920D-01 -0.125460D+02
      6   0.608668D+00  0.305144D+00 -0.789133D+01  0.196962D+01  0.783468D+01
               181           182           183           184           185 
      1   0.149581D+02 -0.713559D+01  0.393151D+01 -0.242057D+01 -0.610551D+01
      2   0.712993D-02 -0.468018D+01  0.907455D+00 -0.110920D+02  0.239495D+02
      3  -0.149652D+02  0.118158D+02 -0.483896D+01  0.135126D+02 -0.178440D+02
      4  -0.298716D+02  0.242345D+02 -0.129416D+02  0.266369D+02 -0.334204D+02
      5   0.116559D+02 -0.964168D+01  0.102457D+02 -0.912320D+01  0.116202D+02
      6  -0.113593D+02  0.972039D+01 -0.847288D+01  0.122377D+02 -0.172326D+02
               186           187           188           189           190 
      1   0.125211D+01  0.258404D+01  0.135714D+01  0.162546D+00  0.206757D+02
      2  -0.745575D+01  0.348821D+01 -0.830633D+01  0.235870D+01 -0.169492D+02
      3   0.620363D+01 -0.607225D+01  0.694919D+01 -0.252125D+01 -0.372643D+01
      4   0.149458D+02 -0.204055D+02  0.208582D+02 -0.175578D+02  0.141391D+01
      5  -0.803934D+01  0.153572D+02 -0.126195D+02  0.149413D+02  0.160041D+02
      6   0.127112D+02 -0.149823D+02  0.171540D+02 -0.174920D+02  0.771787D+00
               191           192           193           194           195 
      1   0.536980D+01  0.802464D+01  0.816747D+01  0.561296D+01  0.396242D+01
      2  -0.708142D+01 -0.972352D+01 -0.910016D+01 -0.623482D+01 -0.645300D+01
      3   0.171162D+01  0.169889D+01  0.932693D+00  0.621857D+00  0.249058D+01
      4   0.659284D+01  0.161230D+01  0.147541D+01  0.755649D+01  0.697269D+00
      5   0.444728D+01  0.108760D+02  0.110364D+02  0.302907D+01  0.773525D+01
      6   0.127640D+01 -0.623092D+00  0.110970D+01  0.263710D+01  0.556843D+00
               196           197           198           199           200 
      1   0.340062D+01  0.132734D+01  0.206087D+01 -0.249275D+01 -0.240876D+01
      2  -0.687074D+01 -0.218824D+01 -0.812301D+01 -0.171521D+01  0.135898D+01
      3   0.347012D+01  0.860897D+00  0.606214D+01  0.420796D+01  0.104978D+01
      4   0.292827D+01  0.424536D+00  0.211057D+01  0.619448D+01 -0.281317D+01
      5   0.808136D+01  0.369627D+01  0.893575D+01 -0.240139D+01  0.209435D+01
      6   0.390744D+00  0.145614D+01 -0.698774D+00 -0.895867D-01 -0.325676D+01
               201           202           203           204           205 
      1   0.730689D+01 -0.471106D+00 -0.517262D+01  0.638573D+01  0.252747D+01
      2   0.119437D+01 -0.461439D+00  0.203172D+01 -0.937941D+00 -0.145272D+01
      3  -0.850126D+01  0.932546D+00  0.314090D+01 -0.544779D+01 -0.107474D+01
      4   0.275070D+00  0.146251D+01 -0.179585D+01  0.528630D+00 -0.318599D+01
      5  -0.195299D+00  0.327384D+00  0.108116D+01 -0.189307D+01  0.440869D+01
      6   0.594367D+01 -0.425620D+00 -0.604741D+01  0.895297D+01 -0.443868D+00
               206           207           208           209           210 
      1   0.562774D+01 -0.184658D+02 -0.156441D+00 -0.763472D+01 -0.453447D+01
      2  -0.927178D-01 -0.115511D+02 -0.277069D+00  0.963106D+01  0.194694D+01
      3  -0.553503D+01  0.300169D+02  0.433510D+00 -0.199634D+01  0.258752D+01
      4   0.315167D+01  0.553018D+00  0.177592D+02  0.786553D+01  0.847467D+01
      5  -0.230697D+01  0.114276D+02  0.918871D+01  0.578229D+01  0.577444D+01
      6   0.743327D+01 -0.176616D+02  0.964661D+01  0.111596D+02  0.102451D+02
               211           212           213           214           215 
      1  -0.219073D+01 -0.315934D+01 -0.186370D+01 -0.167535D+01 -0.144908D+01
      2   0.299807D+01  0.693004D+01  0.155014D+01 -0.725200D+00 -0.130211D+01
      3  -0.807340D+00 -0.377070D+01  0.313555D+00  0.240055D+01  0.275118D+01
      4   0.805101D+01  0.769127D+01  0.502278D+01  0.441120D+01  0.405707D+01
      5   0.294706D+01  0.326720D+01  0.227984D+01  0.470340D+01  0.224927D+01
      6   0.558287D+01  0.519826D+01  0.546795D+01  0.557894D+01  0.500920D+01
               216           217           218           219           220 
      1  -0.405054D+01 -0.579169D+00  0.329945D+01  0.244727D+01  0.282605D+00
      2  -0.194798D+01 -0.366168D+01 -0.411169D+01  0.637164D+01 -0.131311D+01
      3   0.599852D+01  0.424085D+01  0.812239D+00 -0.881891D+01  0.103050D+01
      4   0.552471D+01 -0.356868D+01  0.442903D+01  0.450934D+01  0.548807D+00
      5   0.369237D+01 -0.492023D+01  0.187700D+01  0.856455D+01  0.276585D+00
      6   0.846831D+01  0.444669D+01 -0.308809D+01 -0.716290D+01 -0.106102D+00
               221           222           223           224           225 
      1   0.277394D+01  0.161786D+01  0.182422D+01 -0.491581D+01 -0.120503D+02
      2  -0.590376D+01  0.247586D+01  0.359430D+01  0.295729D+01 -0.164759D+02
      3   0.312983D+01 -0.409372D+01 -0.541852D+01  0.195852D+01  0.285262D+02
      4   0.210151D+01  0.691368D+00  0.365020D+01 -0.201577D+01 -0.287120D+01
      5  -0.138855D+01  0.970142D+00  0.565763D+01 -0.120872D+01 -0.996129D+01
      6  -0.192659D+01  0.730786D+00 -0.326155D+01  0.645420D+01  0.189700D+02
               226           227           228           229           230 
      1  -0.857681D+00 -0.513342D+00 -0.130630D+01 -0.579129D+01 -0.117651D+02
      2   0.435354D+01 -0.231591D+01  0.170890D+01  0.147076D+01  0.213352D+02
      3  -0.349586D+01  0.282925D+01 -0.402601D+00  0.432052D+01 -0.957007D+01
      4  -0.326395D+01  0.542654D+01  0.166658D+00  0.858860D+01 -0.213714D+02
      5  -0.147887D+01 -0.354388D+00  0.538158D-01 -0.489699D+01  0.278912D+01
      6   0.210712D+00  0.508013D+00 -0.166789D+00  0.385144D+01 -0.123554D+02
               231           232           233           234           235 
      1   0.165019D+01 -0.532874D+01  0.208619D+01 -0.420202D+01 -0.257762D+01
      2  -0.251214D+00  0.354341D+01  0.103597D+01  0.227072D+01 -0.244830D+00
      3  -0.139898D+01  0.178533D+01 -0.312216D+01  0.193130D+01  0.282245D+01
      4   0.441765D+01  0.174182D+01 -0.223675D+01 -0.202047D+01  0.919227D+00
      5  -0.465677D+01 -0.119701D+01 -0.188269D+01  0.138588D+00  0.219594D+00
      6   0.550840D+01  0.155065D-01  0.277984D+01 -0.201164D+01  0.123166D+01
               236           237           238           239           240 
      1   0.867674D+00  0.371643D+01  0.361967D+01 -0.351961D+01  0.998534D+00
      2  -0.171053D+01  0.100593D+01 -0.375428D+01  0.725229D+00 -0.329999D+01
      3   0.842859D+00 -0.472236D+01  0.134608D+00  0.279439D+01  0.230146D+01
      4  -0.504843D+00  0.141466D+00  0.848797D+00 -0.930822D+00  0.237339D+01
      5   0.118920D+01  0.189810D+01  0.176900D+01  0.157537D+01  0.175960D+01
      6  -0.809623D+00  0.186055D+01  0.118006D+00 -0.200086D+01  0.468059D+01
               241           242           243           244           245 
      1   0.400828D+01  0.400624D+01 -0.210287D+02 -0.898545D-01  0.759542D+01
      2  -0.605213D+01  0.831129D+00 -0.163314D+02 -0.344127D+00 -0.960889D+01
      3   0.204385D+01 -0.483737D+01  0.373602D+02  0.433982D+00  0.201347D+01
      4  -0.149242D+01  0.344395D+01 -0.267876D+01 -0.178209D+02  0.789797D+01
      5   0.681844D+01 -0.401063D+01  0.220217D+02 -0.924902D+01  0.580599D+01
      6  -0.147781D+01  0.542876D+01 -0.102461D+02  0.969152D+01 -0.111345D+02
               246           247           248           249           250 
      1   0.449356D+01  0.215055D+01 -0.307527D+01 -0.181832D+01  0.166282D+01
      2  -0.190029D+01 -0.297301D+01  0.682977D+01  0.150844D+01  0.752052D+00
      3  -0.259327D+01  0.822463D+00 -0.375450D+01  0.309881D+00 -0.241487D+01
      4   0.853089D+01  0.803038D+01 -0.767796D+01 -0.501067D+01  0.444013D+01
      5   0.582824D+01  0.294569D+01 -0.325625D+01 -0.227663D+01  0.473582D+01
      6  -0.102599D+02 -0.556215D+01  0.513060D+01  0.543567D+01 -0.558971D+01
               251           252           253           254           255 
      1  -0.142462D+01 -0.402569D+01 -0.591591D+00 -0.335056D+01 -0.248995D+01
      2  -0.132734D+01 -0.198003D+01 -0.365966D+01  0.415275D+01 -0.635711D+01
      3   0.275196D+01  0.600573D+01  0.425125D+01 -0.802193D+00  0.884706D+01
      4  -0.404724D+01 -0.553771D+01  0.357976D+01  0.443555D+01  0.454437D+01
      5  -0.225265D+01 -0.372658D+01  0.491669D+01  0.188961D+01  0.856444D+01
      6   0.500102D+01  0.848004D+01  0.447098D+01  0.312878D+01  0.722588D+01
               256           257           258           259           260 
      1  -0.302956D+00  0.277511D+01  0.159952D+01 -0.183592D+01 -0.494984D+01
      2   0.132944D+01 -0.589057D+01  0.243541D+01 -0.359226D+01  0.294939D+01
      3  -0.102648D+01  0.311546D+01 -0.403494D+01  0.542819D+01  0.200045D+01
      4   0.571875D+00 -0.203991D+01 -0.672959D+00  0.366413D+01  0.200974D+01
      5   0.290197D+00  0.140598D+01 -0.937057D+00  0.565262D+01  0.121865D+01
      6   0.135361D+00 -0.188782D+01  0.769993D+00  0.327977D+01  0.649630D+01
               261           262           263           264           265 
      1  -0.120698D+02  0.208116D+02 -0.539690D+01 -0.803754D+01 -0.816885D+01
      2  -0.164231D+02 -0.170268D+02  0.709970D+01  0.971403D+01  0.907483D+01
      3   0.284929D+02 -0.378484D+01 -0.170280D+01 -0.167650D+01 -0.905977D+00
      4   0.291594D+01 -0.134366D+01  0.659683D+01  0.155418D+01  0.145829D+01
      5   0.991973D+01 -0.160212D+02  0.440279D+01  0.108443D+02  0.109788D+02
      6   0.190467D+02  0.738368D+00 -0.127345D+01  0.650656D+00 -0.108669D+01
               266           267           268           269           270 
      1   0.563646D+01  0.393929D+01 -0.340025D+01  0.131454D+01  0.207366D+01
      2  -0.621563D+01 -0.639221D+01  0.684568D+01 -0.214642D+01 -0.807742D+01
      3   0.579171D+00  0.245292D+01 -0.344543D+01  0.831884D+00  0.600375D+01
      4  -0.750986D+01 -0.646174D+00  0.290730D+01 -0.384574D+00 -0.207781D+01
      5  -0.296875D+01 -0.766360D+01  0.804057D+01 -0.366499D+01 -0.885753D+01
      6   0.261633D+01  0.523825D+00 -0.375501D+00  0.143276D+01 -0.713441D+00
               271           272           273           274           275 
      1  -0.244487D+01  0.240388D+01 -0.730056D+01  0.453089D+00 -0.513920D+01
      2  -0.176459D+01 -0.138394D+01 -0.119656D+01  0.458815D+00  0.200959D+01
      3   0.420946D+01 -0.101994D+01  0.849712D+01 -0.911904D+00  0.312961D+01
      4  -0.618030D+01 -0.282493D+01  0.262063D+00  0.142812D+01  0.176489D+01
      5   0.238023D+01  0.209907D+01 -0.180992D+00  0.343842D+00 -0.105810D+01
      6  -0.778528D-01  0.325331D+01 -0.593185D+01  0.431776D+00 -0.599628D+01
               276           277           278           279           280 
      1   0.632283D+01 -0.250791D+01  0.560214D+01 -0.184619D+02  0.661036D+01
      2  -0.938875D+00  0.144869D+01 -0.107597D+00 -0.116329D+02 -0.341247D+01
      3  -0.538396D+01  0.105922D+01 -0.549454D+01  0.300947D+02 -0.319789D+01
      4  -0.515484D+00 -0.319851D+01 -0.316796D+01 -0.567550D+00  0.463017D+01
      5   0.186057D+01  0.442286D+01  0.230513D+01 -0.114538D+02  0.809603D+01
      6   0.889609D+01  0.463770D+00  0.741013D+01 -0.176670D+02  0.216670D+01
               281           282           283           284           285 
      1   0.363672D+01  0.681986D+01  0.763863D+01 -0.539358D+00 -0.194123D+01
      2  -0.134262D+01 -0.373903D+01 -0.392232D+01  0.361216D+01 -0.286699D+00
      3  -0.229409D+01 -0.308083D+01 -0.371632D+01 -0.307281D+01  0.222793D+01
      4   0.524322D+01  0.188473D+01  0.118206D+02  0.246747D+02  0.126977D+02
      5   0.248241D+01  0.510130D+01  0.643463D+01  0.135079D+02  0.146481D+02
      6   0.754027D+00  0.727007D+00  0.439218D+01  0.120419D+02  0.835521D+01
               286           287           288           289           290 
      1   0.802423D+01 -0.185688D+01 -0.725750D+00  0.678639D+02 -0.170911D+02
      2  -0.611396D+01 -0.107638D+01 -0.388720D+01 -0.374840D+02  0.842782D+01
      3  -0.191027D+01  0.293326D+01  0.461295D+01 -0.303799D+02  0.866332D+01
      4   0.359303D+01  0.884697D+01  0.892638D+01 -0.219545D+02  0.132549D+02
      5   0.880580D+01  0.937723D+01  0.136361D+02  0.283062D+02 -0.755331D+01
      6   0.231230D+01  0.751831D+01  0.693586D+01 -0.481649D+01  0.302229D+01
               291           292           293           294           295 
      1   0.178739D+02 -0.272490D+02  0.134060D+02 -0.754049D+01  0.156545D+02
      2  -0.113596D+02  0.137274D+02 -0.570907D+01  0.495629D+01 -0.122176D+02
      3  -0.651435D+01  0.135216D+02 -0.769691D+01  0.258420D+01 -0.343687D+01
      4  -0.647804D+01  0.209783D+02 -0.136288D+02  0.910700D+01 -0.607811D+01
      5   0.172180D+02 -0.129254D+02  0.100805D+02 -0.770488D+01  0.217406D+02
      6  -0.194656D+01  0.570775D+01 -0.347051D+01  0.431977D+01 -0.327109D+01
               296           297           298           299           300 
      1  -0.395235D+01  0.121487D+02  0.676030D+02  0.172379D+02 -0.177451D+02
      2   0.356473D+01 -0.989203D+01 -0.372266D+02 -0.845630D+01  0.112413D+02
      3   0.387620D+00 -0.225668D+01 -0.303763D+02 -0.878165D+01  0.650387D+01
      4   0.587916D+01 -0.576266D+01  0.222753D+02  0.134180D+02 -0.653424D+01
      5  -0.617927D+01  0.134030D+02 -0.281031D+02 -0.758503D+01  0.171088D+02
      6   0.376638D+01 -0.281561D+01 -0.487180D+01 -0.304856D+01  0.198398D+01
               301           302           303           304           305 
      1   0.273868D+02  0.135186D+02 -0.752750D+01 -0.155322D+02 -0.394804D+01
      2  -0.137171D+02 -0.569539D+01  0.491743D+01  0.120947D+02  0.354969D+01
      3  -0.136697D+02 -0.782322D+01  0.261007D+01  0.343752D+01  0.398358D+00
      4   0.212197D+02  0.138699D+02 -0.916224D+01 -0.613832D+01 -0.591666D+01
      5  -0.129394D+02 -0.101233D+02  0.773331D+01  0.216310D+02  0.623224D+01
      6  -0.574858D+01 -0.353247D+01  0.433975D+01  0.332997D+01  0.379288D+01
               306           307           308           309           310 
      1   0.120773D+02  0.677461D+01 -0.366599D+01 -0.683694D+01 -0.773540D+01
      2  -0.980103D+01 -0.350751D+01  0.136532D+01  0.376160D+01  0.399211D+01
      3  -0.227622D+01 -0.326710D+01  0.230066D+01  0.307534D+01  0.374329D+01
      4   0.583707D+01 -0.469228D+01  0.534279D+01  0.191561D+01  0.119241D+02
      5  -0.132985D+02 -0.816501D+01  0.252801D+01  0.517455D+01  0.651030D+01
      6  -0.285354D+01  0.216073D+01 -0.796477D+00 -0.751948D+00 -0.442578D+01
               311           312           313           314           315 
      1  -0.315210D+00 -0.181649D+01 -0.805723D+01 -0.178273D+01 -0.627156D+00
      2   0.342054D+01 -0.381882D+00  0.614954D+01 -0.113230D+01 -0.395225D+01
      3  -0.310533D+01  0.219837D+01  0.190769D+01  0.291503D+01  0.457941D+01
      4  -0.246679D+02 -0.127047D+02  0.359848D+01 -0.884735D+01 -0.892640D+01
      5  -0.135313D+02 -0.146725D+02  0.886757D+01 -0.938458D+01 -0.136639D+02
      6   0.119496D+02  0.828005D+01 -0.232591D+01  0.746664D+01  0.687365D+01
               316           317           318           319           320 
      1  -0.253623D+01 -0.872628D+00 -0.370070D+01 -0.363683D+01 -0.353173D+01
      2  -0.279447D+00  0.170211D+01 -0.984589D+00  0.377520D+01  0.742671D+00
      3   0.281567D+01 -0.829480D+00  0.468529D+01 -0.138377D+00  0.278906D+01
      4  -0.929147D+00 -0.520572D+00  0.141201D+00  0.814606D+00  0.901268D+00
      5  -0.246128D+00  0.118955D+01  0.192846D+01  0.179012D+01 -0.155852D+01
      6   0.123858D+01  0.814250D+00 -0.185358D+01 -0.102145D+00 -0.197707D+01
               321           322           323           324           325 
      1   0.962661D+00 -0.399684D+01  0.397067D+01 -0.210170D+02 -0.924290D+00
      2  -0.333939D+01  0.605586D+01  0.817094D+00 -0.163559D+02  0.438320D+01
      3   0.237673D+01 -0.205902D+01 -0.478776D+01  0.373729D+02 -0.345891D+01
      4  -0.236049D+01 -0.151294D+01 -0.343845D+01  0.264171D+01  0.318151D+01
      5  -0.181491D+01  0.682707D+01  0.399270D+01 -0.220506D+02  0.149704D+01
      6   0.465294D+01  0.148588D+01  0.542296D+01 -0.102525D+02  0.228692D+00
               326           327           328           329           330 
      1   0.518653D+00  0.129785D+01  0.578217D+01 -0.119183D+02  0.171012D+01
      2   0.227764D+01 -0.170785D+01 -0.148395D+01  0.214729D+02 -0.317805D+00
      3  -0.279629D+01  0.410002D+00 -0.429822D+01 -0.955458D+01 -0.139232D+01
      4   0.533541D+01  0.189860D+00  0.854913D+01  0.213191D+02 -0.444553D+01
      5  -0.342418D+00  0.415211D-01 -0.488365D+01 -0.280461D+01  0.465065D+01
      6  -0.459958D+00  0.144185D+00 -0.383589D+01 -0.124380D+02  0.555616D+01
               331           332           333 
      1   0.530485D+01  0.210846D+01 -0.422200D+01
      2  -0.353363D+01  0.100996D+01  0.227519D+01
      3  -0.177122D+01 -0.311842D+01  0.194681D+01
      4   0.175737D+01  0.221077D+01  0.200159D+01
      5  -0.118846D+01  0.187169D+01 -0.156193D+00
      6  -0.276990D-01  0.280626D+01 -0.203108D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.890861D-02      0.226434D-01      0.755303D-01
   y         -0.800529D-04     -0.203474D-03     -0.678716D-03
   z          0.100325D-03      0.255002D-03      0.850594D-03

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.150517D+03      0.223043D+02      0.248169D+02
   yx        -0.754235D-03     -0.111766D-03     -0.124356D-03
   yy         0.149050D+03      0.220869D+02      0.245749D+02
   zx        -0.156812D-02     -0.232371D-03     -0.258547D-03
   zy         0.598749D-01      0.887254D-02      0.987204D-02
   zz         0.118804D+03      0.176049D+02      0.195881D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146554D+03      0.217170D+02      0.241634D+02
   aniso      0.335089D+02      0.496550D+01      0.552487D+01
   xx         0.158479D+03      0.234842D+02      0.261297D+02
   yx        -0.928005D-03     -0.137516D-03     -0.153007D-03
   yy         0.156950D+03      0.232576D+02      0.258775D+02
   zx        -0.172042D-02     -0.254940D-03     -0.283659D-03
   zy         0.629253D-01      0.932457D-02      0.103750D-01
   zz         0.124232D+03      0.184093D+02      0.204831D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.35877401          0.08788376         -5.46357659
     6         -1.47772948         -0.20504003         -5.43126830
     7         -2.22504686         -1.46968958         -2.99423412
    45         -0.00105609          0.00023177          0.00035199
     7          2.20894566          1.85361184          2.78749118
     6          0.79117946          4.11834554          3.76473204
     6         -0.51397037          5.38451931          1.56710704
     7         -2.06317300          3.43142715          0.19865746
     7          2.15504566          1.40731295         -3.07171072
     7         -2.14754557         -1.79726140          2.87209759
     6         -0.70366314         -4.03716438          3.86818416
     6          0.55530996         -5.35005810          1.67094759
     7          2.06794465         -3.42522795          0.22379728
     1         -0.56962142          3.46273310          5.16672248
     1          2.07807240          5.41565759          4.71751425
     1          0.85420626          6.16372377          0.23694819
     1         -1.71000739          6.93822435          2.20158996
     1         -0.84015191         -6.16267229          0.39010479
     1          1.76970047         -6.88606436          2.31358653
     1          0.68620151         -3.34809181          5.22484570
     1         -1.96639072         -5.31486827          4.87808581
     1         -2.63270866         -0.66650490          4.35461399
     1         -3.83078621         -2.41895327          2.16705436
     1          2.58068600         -4.17877258         -1.47373911
     1          3.73901844         -3.13819974          1.14137995
     1          1.90604036          3.30388580         -3.30529757
     1          4.05778902          1.19081705         -2.85282106
     1         -2.61559017          4.14870027         -1.50213843
     1         -3.71200974          3.16656617          1.16195061
     1          2.72192455          0.75388310          4.28384604
     1          3.87879014          2.45546235          2.03487456
     1          2.30263937         -1.74285178         -5.52284904
     1          1.98195758          1.15296126         -7.11404937
     1         -2.13438159         -1.30725914         -7.04394006
     1         -2.42298038          1.62414666         -5.51292244
     1         -4.12217698         -1.24341948         -2.73943298
     1         -1.98530439         -3.37165720         -3.19119244

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.890953D-02      0.226458D-01      0.755381D-01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.890953D-02      0.226458D-01      0.755381D-01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139457D+03      0.206654D+02      0.229933D+02
   aniso      0.310054D+02      0.459453D+01      0.511211D+01
   xx         0.118809D+03      0.176058D+02      0.195890D+02
   yx         0.212024D+00      0.314186D-01      0.349580D-01
   yy         0.149048D+03      0.220867D+02      0.245747D+02
   zx         0.359287D+00      0.532409D-01      0.592385D-01
   zy         0.987699D-02      0.146362D-02      0.162849D-02
   zz         0.150513D+03      0.223037D+02      0.248162D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146554D+03      0.217170D+02      0.241634D+02
   aniso      0.335089D+02      0.496550D+01      0.552487D+01
   xx         0.124238D+03      0.184101D+02      0.204840D+02
   yx         0.231193D+00      0.342592D-01      0.381185D-01
   yy         0.156948D+03      0.232574D+02      0.258773D+02
   zx         0.388003D+00      0.574962D-01      0.639731D-01
   zy         0.100334D-01      0.148680D-02      0.165429D-02
   zz         0.158475D+03      0.234835D+02      0.261289D+02

 ----------------------------------------------------------------------
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 One man practicing sportsmanship is far better than 50 preaching it.
 -- Knute K. Rockne
 Job cpu time:       1 days 11 hours 56 minutes 38.2 seconds.
 Elapsed time:       0 days  2 hours 14 minutes 57.4 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 21:37:30 2021.
